N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C121H188N6O14 — CID 158132224

IUPACN-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=C(C)C(=O)N(CC)C1CC2CCC1C2.C=C(C)C(=O)NC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)NC1CC2CCC1C2.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CC2CCC1C2.C=C(C)C(=O)OC1CC2CCC1C2.C=CC(=O)N(C)C1CC2CCC1C2.C=CC(=O)NC1CC2CCC1(C)C2(C)C.C=CC(=O)NC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H23NO.C14H22O2.2C13H21NO.C13H20O2.2C11H17NO.2C11H16O2.C10H15NO/c1-9(2)12(16)15-11-8-10-6-7-14(11,5)13(10,3)4;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3;1-4-14(13(15)9(2)3)12-8-10-5-6-11(12)7-10;1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-7(2)11(13)12-10-6-8-3-4-9(10)5-8;1-3-11(13)12(2)10-7-8-4-5-9(10)6-8;2*1-7(2)11(12)13-10-6-8-3-4-9(10)5-8;1-2-10(12)11-9-6-7-3-4-8(9)5-7/h10-11H,1,6-8H2,2-5H3,(H,15,16);10-11H,1,6-8H2,2-5H3;5,9-10H,1,6-8H2,2-4H3,(H,14,15);10-12H,2,4-8H2,1,3H3;5,9-10H,1,6-8H2,2-4H3;8-10H,1,3-6H2,2H3,(H,12,13);3,8-10H,1,4-7H2,2H3;2*8-10H,1,3-6H2,2H3;2,7-9H,1,3-6H2,(H,11,12)
InChIKeyFSXNJFQHTDUILJ-UHFFFAOYSA-N
MW1950.86 g/mol
LogP24.00
Rot. Bonds21

About N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 158132224) has the molecular formula C121H188N6O14 and a molecular weight of 1950.86 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
PubChem CID158132224
Molecular FormulaC121H188N6O14
Molecular Weight1950.86 g/mol
Exact Mass1949.42
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=C(C)C(=O)N(CC)C1CC2CCC1C2.C=C(C)C(=O)NC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)NC1CC2CCC1C2.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CC2CCC1C2.C=C(C)C(=O)OC1CC2CCC1C2.C=CC(=O)N(C)C1CC2CCC1C2.C=CC(=O)NC1CC2CCC1(C)C2(C)C.C=CC(=O)NC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H23NO.C14H22O2.2C13H21NO.C13H20O2.2C11H17NO.2C11H16O2.C10H15NO/c1-9(2)12(16)15-11-8-10-6-7-14(11,5)13(10,3)4;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3;1-4-14(13(15)9(2)3)12-8-10-5-6-11(12)7-10;1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-7(2)11(13)12-10-6-8-3-4-9(10)5-8;1-3-11(13)12(2)10-7-8-4-5-9(10)6-8;2*1-7(2)11(12)13-10-6-8-3-4-9(10)5-8;1-2-10(12)11-9-6-7-3-4-8(9)5-7/h10-11H,1,6-8H2,2-5H3,(H,15,16);10-11H,1,6-8H2,2-5H3;5,9-10H,1,6-8H2,2-4H3,(H,14,15);10-12H,2,4-8H2,1,3H3;5,9-10H,1,6-8H2,2-4H3;8-10H,1,3-6H2,2H3,(H,12,13);3,8-10H,1,4-7H2,2H3;2*8-10H,1,3-6H2,2H3;2,7-9H,1,3-6H2,(H,11,12)
InChIKeyFSXNJFQHTDUILJ-UHFFFAOYSA-N
XLogP24.00
TPSA262.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.86
LogP ≤ 524.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 158132224) is N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=C(C)C(=O)N(CC)C1CC2CCC1C2.C=C(C)C(=O)NC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)NC1CC2CCC1C2.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1CC2CCC1C2.C=C(C)C(=O)OC1CC2CCC1C2.C=CC(=O)N(C)C1CC2CCC1C2.C=CC(=O)NC1CC2CCC1(C)C2(C)C.C=CC(=O)NC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The InChIKey is FSXNJFQHTDUILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C14H22O2.2C13H21NO.C13H20O2.2C11H17NO.2C11H16O2.C10H15NO/c1-9(2)12(16)15-11-8-10-6-7-14(11,5)13(10,3)4;1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4;1-5-11(15)14-10-8-9-6-7-13(10,4)12(9,2)3;1-4-14(13(15)9(2)3)12-8-10-5-6-11(12)7-10;1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-7(2)11(13)12-10-6-8-3-4-9(10)5-8;1-3-11(13)12(2)10-7-8-4-5-9(10)6-8;2*1-7(2)11(12)13-10-6-8-3-4-9(10)5-8;1-2-10(12)11-9-6-7-3-4-8(9)5-7/h10-11H,1,6-8H2,2-5H3,(H,15,16);10-11H,1,6-8H2,2-5H3;5,9-10H,1,6-8H2,2-4H3,(H,14,15);10-12H,2,4-8H2,1,3H3;5,9-10H,1,6-8H2,2-4H3;8-10H,1,3-6H2,2H3,(H,12,13);3,8-10H,1,4-7H2,2H3;2*8-10H,1,3-6H2,2H3;2,7-9H,1,3-6H2,(H,11,12).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 1950.86 g/mol, XLogP of 24.00, 21 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-N-methylprop-2-enamide;N-(2-bicyclo[2.2.1]heptanyl)-2-methylprop-2-enamide;bis(2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate);N-(2-bicyclo[2.2.1]heptanyl)prop-2-enamide;2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 158132224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).