N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide

C17H24N2O2 — CID 42700000

IUPACN-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C1CCCCNC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)17(21)19(12-14-8-4-3-5-9-14)15-10-6-7-11-18-16(15)20/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyKVRPZJICVXNBMH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.34
Rot. Bonds4

About N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide

N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide (PubChem CID 42700000) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
PubChem CID42700000
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C1CCCCNC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)17(21)19(12-14-8-4-3-5-9-14)15-10-6-7-11-18-16(15)20/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyKVRPZJICVXNBMH-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 5150826
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)benzamide
CID 42699399
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25325962
benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
CID 69260154
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
(3R)-N,N-dibenzyl-2-methylideneazepan-3-amine
CID 166571682
5-methyl-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide
CID 42440843
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 26396690
N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
CID 42700013
3-(3-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 26402336

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide?
The IUPAC name of N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide (CID 42700000) is N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide is CC(C)C(=O)N(Cc1ccccc1)C1CCCCNC1=O.
What is the InChIKey of N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide?
The InChIKey is KVRPZJICVXNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)17(21)19(12-14-8-4-3-5-9-14)15-10-6-7-11-18-16(15)20/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide?
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide is sourced from PubChem (CID 42700000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).