2-(azepan-1-yl)-N-benzyl-N-ethylacetamide

C17H26N2O — CID 108998993

IUPAC2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-2-19(14-16-10-6-5-7-11-16)17(20)15-18-12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-15H2,1H3
InChIKeyBUSJHSZPNIGESP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds5

About 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide

2-(azepan-1-yl)-N-benzyl-N-ethylacetamide (PubChem CID 108998993) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
PubChem CID108998993
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-2-19(14-16-10-6-5-7-11-16)17(20)15-18-12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-15H2,1H3
InChIKeyBUSJHSZPNIGESP-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8545424
N-benzyl-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-ethylacetamide
CID 56501604
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide (CID 108998993) is 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide?
The InChIKey is BUSJHSZPNIGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19(14-16-10-6-5-7-11-16)17(20)15-18-12-8-3-4-9-13-18/h5-7,10-11H,2-4,8-9,12-15H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide?
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 108998993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).