2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide

C17H24N2O3 — CID 94799256

IUPAC2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
SMILESCOCC(=O)N[C@H](CN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-22-13-16(20)18-15(14-8-4-2-5-9-14)12-19-11-7-3-6-10-17(19)21/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyXYPGOVRRQKGWJB-OAHLLOKOSA-N
MW304.39 g/mol
LogP1.89
Rot. Bonds6

About 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide

2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide (PubChem CID 94799256) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
PubChem CID94799256
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
SMILESCOCC(=O)N[C@H](CN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-22-13-16(20)18-15(14-8-4-2-5-9-14)12-19-11-7-3-6-10-17(19)21/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyXYPGOVRRQKGWJB-OAHLLOKOSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
CID 55749941
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
CID 55749883
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
CID 139000569
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
CID 96549349
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119719350
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide (CID 94799256) is 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide is COCC(=O)N[C@H](CN1CCCCCC1=O)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide?
The InChIKey is XYPGOVRRQKGWJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-13-16(20)18-15(14-8-4-2-5-9-14)12-19-11-7-3-6-10-17(19)21/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide?
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 94799256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).