N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide

C83H150N6O12 — CID 158889966

IUPACN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide
SMILESC=CCOC(CC(=C)C)C(=O)NC(C)(C)C.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.C=CCOC(CC1CCC1)C(=O)NC(C)(C)C.C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO2.2C14H25NO2.C14H27NO2.2C13H23NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4;1-7-8-16-11(9-10(2)3)12(15)14-13(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15)
InChIKeyJECIVFQQRARLTC-UHFFFAOYSA-N
MW1424.14 g/mol
LogP15.85
Rot. Bonds35

About N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide

N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide (PubChem CID 158889966) has the molecular formula C83H150N6O12 and a molecular weight of 1424.14 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide
PubChem CID158889966
Molecular FormulaC83H150N6O12
Molecular Weight1424.14 g/mol
Exact Mass1423.13
IUPAC NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide
SMILESC=CCOC(CC(=C)C)C(=O)NC(C)(C)C.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.C=CCOC(CC1CCC1)C(=O)NC(C)(C)C.C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27NO2.2C14H25NO2.C14H27NO2.2C13H23NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4;1-7-8-16-11(9-10(2)3)12(15)14-13(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15)
InChIKeyJECIVFQQRARLTC-UHFFFAOYSA-N
XLogP15.85
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001424.14
LogP ≤ 515.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide (CID 158889966) is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide is C=CCOC(CC(=C)C)C(=O)NC(C)(C)C.C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.C=CCOC(CC1CC1)C(=O)NC(C)(C)C.C=CCOC(CC1CC1C)C(=O)NC(C)(C)C.C=CCOC(CC1CCC1)C(=O)NC(C)(C)C.C=CCOC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide?
The InChIKey is JECIVFQQRARLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.2C14H25NO2.C14H27NO2.2C13H23NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4;1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4;1-7-8-16-11(9-10(2)3)12(15)14-13(4,5)6/h5,12-13H,1,6-11H2,2-4H3,(H,16,17);6,10-12H,1,7-9H2,2-5H3,(H,15,16);5,11-12H,1,6-10H2,2-4H3,(H,15,16);8,11H,1,9-10H2,2-7H3,(H,15,16);5,10-11H,1,6-9H2,2-4H3,(H,14,15);7,11H,1-2,8-9H2,3-6H3,(H,14,15).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide?
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide has a molecular weight of 1424.14 g/mol, XLogP of 15.85, 35 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-(2-methylcyclopropyl)-2-prop-2-enoxypropanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide is sourced from PubChem (CID 158889966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).