N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide

C17H24N2O3 — CID 53488379

IUPACN-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
SMILESCCN1CCCCC(NC(=O)COCc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O3/c1-2-19-11-7-6-10-15(17(19)21)18-16(20)13-22-12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,18,20)
InChIKeyHKTURAHLTSNQNE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds6

About N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide

N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide (PubChem CID 53488379) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
PubChem CID53488379
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
SMILESCCN1CCCCC(NC(=O)COCc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O3/c1-2-19-11-7-6-10-15(17(19)21)18-16(20)13-22-12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,18,20)
InChIKeyHKTURAHLTSNQNE-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
tert-butyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 56630789
tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]acetate
CID 22946050
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
ethyl 2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azepan-1-yl]oxyacetate
CID 101191342
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
CID 95981025
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylmethoxyacetamide;hydrochloride
CID 119457057
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide (CID 53488379) is N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide is CCN1CCCCC(NC(=O)COCc2ccccc2)C1=O.
What is the InChIKey of N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide?
The InChIKey is HKTURAHLTSNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-19-11-7-6-10-15(17(19)21)18-16(20)13-22-12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,18,20).
What are the key properties of N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide?
N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 53488379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).