3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride

C15H22ClN3O2 — CID 119949454

IUPAC3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCCCNC1=O)c1ccccc1
InChIInChI=1S/C15H21N3O2.ClH/c16-12(11-6-2-1-3-7-11)10-14(19)18-13-8-4-5-9-17-15(13)20;/h1-3,6-7,12-13H,4-5,8-10,16H2,(H,17,20)(H,18,19);1H
InChIKeyYXIQQEDNWWDFDV-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119949454) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119949454
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCCCNC1=O)c1ccccc1
InChIInChI=1S/C15H21N3O2.ClH/c16-12(11-6-2-1-3-7-11)10-14(19)18-13-8-4-5-9-17-15(13)20;/h1-3,6-7,12-13H,4-5,8-10,16H2,(H,17,20)(H,18,19);1H
InChIKeyYXIQQEDNWWDFDV-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
(3S)-3-amino-3-(2-methylphenyl)-N-(2-oxopyrrolidin-3-yl)propanamide
CID 71071009
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119948742
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
4-amino-3-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 103155744
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride (CID 119949454) is 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NC1CCCCNC1=O)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is YXIQQEDNWWDFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-12(11-6-2-1-3-7-11)10-14(19)18-13-8-4-5-9-17-15(13)20;/h1-3,6-7,12-13H,4-5,8-10,16H2,(H,17,20)(H,18,19);1H.
What are the key properties of 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).