2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide

C17H24N2O2 — CID 100655756

IUPAC2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCCc1ccccc1CC(=O)N(C)[C@H]1CCCCNC1=O
InChIInChI=1S/C17H24N2O2/c1-3-13-8-4-5-9-14(13)12-16(20)19(2)15-10-6-7-11-18-17(15)21/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyIRPOGFPSYUULNO-HNNXBMFYSA-N
MW288.39 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide

2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 100655756) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID100655756
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCCc1ccccc1CC(=O)N(C)[C@H]1CCCCNC1=O
InChIInChI=1S/C17H24N2O2/c1-3-13-8-4-5-9-14(13)12-16(20)19(2)15-10-6-7-11-18-17(15)21/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyIRPOGFPSYUULNO-HNNXBMFYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-indazol-1-yl-N-methyl-N-(2-oxoazepan-3-yl)acetamide
CID 154800335
N-methyl-2-[2-[2-[methyl-(2-oxoazepan-3-yl)amino]-2-oxoethoxy]ethoxy]-N-(2-oxoazepan-3-yl)acetamide
CID 166196584
3-(2-amino-N-propylanilino)azepan-2-one
CID 63230674
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
3-[(2-aminophenyl)methyl-propylamino]azepan-2-one
CID 43459941
1-methyl-1-(2-oxopiperidin-3-yl)urea
CID 130678600
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
3-[3-hydroxybutyl(methyl)amino]azepan-2-one
CID 115773325
benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
CID 69260154
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 100655756) is 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide is CCc1ccccc1CC(=O)N(C)[C@H]1CCCCNC1=O.
What is the InChIKey of 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is IRPOGFPSYUULNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-13-8-4-5-9-14(13)12-16(20)19(2)15-10-6-7-11-18-17(15)21/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide?
2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-N-methyl-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 100655756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).