N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide

C16H22N2O2 — CID 33281524

IUPACN-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cccc(CNC(=O)CN2CCCCCC2=O)c1
InChIInChI=1S/C16H22N2O2/c1-13-6-5-7-14(10-13)11-17-15(19)12-18-9-4-2-3-8-16(18)20/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,17,19)
InChIKeyNKXUBLSBQNFJKE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.01
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 33281524) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID33281524
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cccc(CNC(=O)CN2CCCCCC2=O)c1
InChIInChI=1S/C16H22N2O2/c1-13-6-5-7-14(10-13)11-17-15(19)12-18-9-4-2-3-8-16(18)20/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,17,19)
InChIKeyNKXUBLSBQNFJKE-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
N-[3-(3-methylphenoxy)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31339031
N-[3-[[[2-(2-oxopiperidin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78865625
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 86824300
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 33281524) is N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide is Cc1cccc(CNC(=O)CN2CCCCCC2=O)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is NKXUBLSBQNFJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-6-5-7-14(10-13)11-17-15(19)12-18-9-4-2-3-8-16(18)20/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,17,19).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 33281524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).