N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide

C19H28N2O2 — CID 113169653

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1C(C)C
InChIInChI=1S/C19H28N2O2/c1-15(2)17-10-6-7-11-18(17)21(16(3)22)14-19(23)20-12-8-4-5-9-13-20/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3
InChIKeyBEHPRQSSPSEPPW-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.57
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113169653) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113169653
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1C(C)C
InChIInChI=1S/C19H28N2O2/c1-15(2)17-10-6-7-11-18(17)21(16(3)22)14-19(23)20-12-8-4-5-9-13-20/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3
InChIKeyBEHPRQSSPSEPPW-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169650
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113170254

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide (CID 113169653) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1C(C)C.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is BEHPRQSSPSEPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)17-10-6-7-11-18(17)21(16(3)22)14-19(23)20-12-8-4-5-9-13-20/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113169653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).