N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide

C22H33ClN2O2 — CID 42700013

IUPACN-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
SMILESCC(CC(=O)N(Cc1ccccc1Cl)C1CCCCNC1=O)CC(C)(C)C
InChIInChI=1S/C22H33ClN2O2/c1-16(14-22(2,3)4)13-20(26)25(15-17-9-5-6-10-18(17)23)19-11-7-8-12-24-21(19)27/h5-6,9-10,16,19H,7-8,11-15H2,1-4H3,(H,24,27)
InChIKeyNZXLLFMYGTWRAS-UHFFFAOYSA-N
MW392.97 g/mol
LogP4.80
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide

N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide (PubChem CID 42700013) has the molecular formula C22H33ClN2O2 and a molecular weight of 392.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
PubChem CID42700013
Molecular FormulaC22H33ClN2O2
Molecular Weight392.97 g/mol
Exact Mass392.22
IUPAC NameN-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
SMILESCC(CC(=O)N(Cc1ccccc1Cl)C1CCCCNC1=O)CC(C)(C)C
InChIInChI=1S/C22H33ClN2O2/c1-16(14-22(2,3)4)13-20(26)25(15-17-9-5-6-10-18(17)23)19-11-7-8-12-24-21(19)27/h5-6,9-10,16,19H,7-8,11-15H2,1-4H3,(H,24,27)
InChIKeyNZXLLFMYGTWRAS-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide 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-[(3,4-dimethoxyphenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
CID 42699373
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 5150826
N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
CID 119776374
2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 100655756
(3S)-3,5,5-trimethyl-N-[(2R)-1-oxo-1-[[(3R)-2-oxoazepan-3-yl]amino]-3-phenylpropan-2-yl]hexanamide
CID 7362282
4-amino-N-[(2-chlorophenyl)methyl]-N-cyclopentylpentanamide;hydrochloride
CID 120562365
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25325962
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
1-cycloheptyl-3,5,5-trimethylhexan-1-one
CID 115794795
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide (CID 42700013) is N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide is CC(CC(=O)N(Cc1ccccc1Cl)C1CCCCNC1=O)CC(C)(C)C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide?
The InChIKey is NZXLLFMYGTWRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O2/c1-16(14-22(2,3)4)13-20(26)25(15-17-9-5-6-10-18(17)23)19-11-7-8-12-24-21(19)27/h5-6,9-10,16,19H,7-8,11-15H2,1-4H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide?
N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide has a molecular weight of 392.97 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide is sourced from PubChem (CID 42700013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).