N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide

C19H28N2O2 — CID 113118624

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)Cc1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-16-8-7-9-18(14-16)15-21(17(2)22)13-10-19(23)20-11-5-3-4-6-12-20/h7-9,14H,3-6,10-13,15H2,1-2H3
InChIKeyRKGXYCNHYAHXMD-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.14
Rot. Bonds5

About N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide

N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113118624) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113118624
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCCC1)Cc1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-16-8-7-9-18(14-16)15-21(17(2)22)13-10-19(23)20-11-5-3-4-6-12-20/h7-9,14H,3-6,10-13,15H2,1-2H3
InChIKeyRKGXYCNHYAHXMD-UHFFFAOYSA-N
XLogP3.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161616

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide (CID 113118624) is N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide is CC(=O)N(CCC(=O)N1CCCCCC1)Cc1cccc(C)c1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is RKGXYCNHYAHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16-8-7-9-18(14-16)15-21(17(2)22)13-10-19(23)20-11-5-3-4-6-12-20/h7-9,14H,3-6,10-13,15H2,1-2H3.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide?
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113118624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).