N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide

C23H35NO2 — CID 142015776

IUPACN-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide
SMILESCC(C)C(=O)CN(Cc1ccccc1)C(=O)C1(C)CCCC(C)(C)CC1
InChIInChI=1S/C23H35NO2/c1-18(2)20(25)17-24(16-19-10-7-6-8-11-19)21(26)23(5)13-9-12-22(3,4)14-15-23/h6-8,10-11,18H,9,12-17H2,1-5H3
InChIKeyVJJJBXMZLNFTFJ-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.24
Rot. Bonds6

About N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide

N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide (PubChem CID 142015776) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide
PubChem CID142015776
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC NameN-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide
SMILESCC(C)C(=O)CN(Cc1ccccc1)C(=O)C1(C)CCCC(C)(C)CC1
InChIInChI=1S/C23H35NO2/c1-18(2)20(25)17-24(16-19-10-7-6-8-11-19)21(26)23(5)13-9-12-22(3,4)14-15-23/h6-8,10-11,18H,9,12-17H2,1-5H3
InChIKeyVJJJBXMZLNFTFJ-UHFFFAOYSA-N
XLogP5.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(3-methyl-2-oxobutyl)-2-[(3-methyl-2-oxobutyl)amino]acetamide
CID 59118974
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
CID 80662849
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
CID 115448218
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62116197
N,N-dibenzyl-6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide
CID 4513009

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide?
The IUPAC name of N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide (CID 142015776) is N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide.
What is the SMILES notation for N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide?
The canonical SMILES for N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide is CC(C)C(=O)CN(Cc1ccccc1)C(=O)C1(C)CCCC(C)(C)CC1.
What is the InChIKey of N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide?
The InChIKey is VJJJBXMZLNFTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-18(2)20(25)17-24(16-19-10-7-6-8-11-19)21(26)23(5)13-9-12-22(3,4)14-15-23/h6-8,10-11,18H,9,12-17H2,1-5H3.
What are the key properties of N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide?
N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,4,4-trimethyl-N-(3-methyl-2-oxobutyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 142015776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).