N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

C101H147N5O9 — CID 160957903

IUPACN-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)NC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1C2CC3CC(C2)CC1C3.C=CC(=O)N(C)C1C2CC3CC(C2)CC1C3.C=CC(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.C=CC(=O)NC1C2CC3CC(C2)CC1C3.C=CC(=O)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NO.C16H23NO.2C14H21NO.C14H20O2.C13H19NO.C13H18O2/c1-9(2)17(19)18(3)14-8-12-7-13(14)16-11-5-4-10(6-11)15(12)16;1-3-14(18)17(2)13-8-11-7-12(13)16-10-5-4-9(6-10)15(11)16;1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9;1-3-13(16)15(2)14-11-5-9-4-10(7-11)8-12(14)6-9;1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8;1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h10-16H,1,4-8H2,2-3H3;3,9-13,15-16H,1,4-8H2,2H3;9-13H,1,3-7H2,2H3,(H,15,16);3,9-12,14H,1,4-8H2,2H3;9-13H,1,3-7H2,2H3;2,8-11,13H,1,3-7H2,(H,14,15);2,8-11,13H,1,3-7H2
InChIKeySWQCPOUZOICVED-UHFFFAOYSA-N
MW1575.31 g/mol
LogP18.34
Rot. Bonds14

About N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide

N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (PubChem CID 160957903) has the molecular formula C101H147N5O9 and a molecular weight of 1575.31 g/mol. Its IUPAC name is N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
PubChem CID160957903
Molecular FormulaC101H147N5O9
Molecular Weight1575.31 g/mol
Exact Mass1574.12
IUPAC NameN-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)NC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1C2CC3CC(C2)CC1C3.C=CC(=O)N(C)C1C2CC3CC(C2)CC1C3.C=CC(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.C=CC(=O)NC1C2CC3CC(C2)CC1C3.C=CC(=O)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NO.C16H23NO.2C14H21NO.C14H20O2.C13H19NO.C13H18O2/c1-9(2)17(19)18(3)14-8-12-7-13(14)16-11-5-4-10(6-11)15(12)16;1-3-14(18)17(2)13-8-11-7-12(13)16-10-5-4-9(6-10)15(11)16;1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9;1-3-13(16)15(2)14-11-5-9-4-10(7-11)8-12(14)6-9;1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8;1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h10-16H,1,4-8H2,2-3H3;3,9-13,15-16H,1,4-8H2,2H3;9-13H,1,3-7H2,2H3,(H,15,16);3,9-12,14H,1,4-8H2,2H3;9-13H,1,3-7H2,2H3;2,8-11,13H,1,3-7H2,(H,14,15);2,8-11,13H,1,3-7H2
InChIKeySWQCPOUZOICVED-UHFFFAOYSA-N
XLogP18.34
TPSA171.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.31
LogP ≤ 518.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The IUPAC name of N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide (CID 160957903) is N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide.
What is the SMILES notation for N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The canonical SMILES for N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is C=C(C)C(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.C=C(C)C(=O)NC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1C2CC3CC(C2)CC1C3.C=CC(=O)N(C)C1C2CC3CC(C2)CC1C3.C=CC(=O)N(C)C1CC2CC1C1C3CCC(C3)C21.C=CC(=O)NC1C2CC3CC(C2)CC1C3.C=CC(=O)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
The InChIKey is SWQCPOUZOICVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.C16H23NO.2C14H21NO.C14H20O2.C13H19NO.C13H18O2/c1-9(2)17(19)18(3)14-8-12-7-13(14)16-11-5-4-10(6-11)15(12)16;1-3-14(18)17(2)13-8-11-7-12(13)16-10-5-4-9(6-10)15(11)16;1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9;1-3-13(16)15(2)14-11-5-9-4-10(7-11)8-12(14)6-9;1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8;1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h10-16H,1,4-8H2,2-3H3;3,9-13,15-16H,1,4-8H2,2H3;9-13H,1,3-7H2,2H3,(H,15,16);3,9-12,14H,1,4-8H2,2H3;9-13H,1,3-7H2,2H3;2,8-11,13H,1,3-7H2,(H,14,15);2,8-11,13H,1,3-7H2.
What are the key properties of N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide?
N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide has a molecular weight of 1575.31 g/mol, XLogP of 18.34, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;2-adamantyl 2-methylprop-2-enoate;N-(2-adamantyl)prop-2-enamide;2-adamantyl prop-2-enoate;N,2-dimethyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide;N-methyl-N-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide is sourced from PubChem (CID 160957903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).