N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide

C15H20N2O2 — CID 92861083

IUPACN-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C15H20N2O2/c18-14(10-9-12-6-2-1-3-7-12)17-13-8-4-5-11-16-15(13)19/h1-3,6-7,13H,4-5,8-11H2,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyCIVYUTCVPAEOKW-CYBMUJFWSA-N
MW260.34 g/mol
LogP1.40
Rot. Bonds4

About N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide

N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide (PubChem CID 92861083) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
PubChem CID92861083
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C15H20N2O2/c18-14(10-9-12-6-2-1-3-7-12)17-13-8-4-5-11-16-15(13)19/h1-3,6-7,13H,4-5,8-11H2,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyCIVYUTCVPAEOKW-CYBMUJFWSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
3-(2-phenylethylamino)azepan-2-one
CID 43199237
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94083747
N-(2-oxoazepan-3-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55858033
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
2-(3-aminophenyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62498386
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119949454
(3S)-3-(benzylamino)azepan-2-one
CID 40582762

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide (CID 92861083) is N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@@H]1CCCCNC1=O.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide?
The InChIKey is CIVYUTCVPAEOKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14(10-9-12-6-2-1-3-7-12)17-13-8-4-5-11-16-15(13)19/h1-3,6-7,13H,4-5,8-11H2,(H,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide?
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 92861083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).