(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide

C22H27N3O2 — CID 59757318

IUPAC(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide
SMILESN[C@H]1CCCCN([C@H](Cc2ccccc2)C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C22H27N3O2/c23-19-13-7-8-14-25(22(19)27)20(15-17-9-3-1-4-10-17)21(26)24-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,23H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyBNLMWMIUMRZRIO-VQTJNVASSA-N
MW365.48 g/mol
LogP2.25
Rot. Bonds6

About (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide

(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide (PubChem CID 59757318) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide
PubChem CID59757318
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide
SMILESN[C@H]1CCCCN([C@H](Cc2ccccc2)C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C22H27N3O2/c23-19-13-7-8-14-25(22(19)27)20(15-17-9-3-1-4-10-17)21(26)24-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,23H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyBNLMWMIUMRZRIO-VQTJNVASSA-N
XLogP2.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-oxoazetidin-1-yl)-3-phenylpropanamide
CID 5278763
(2S)-N-benzyl-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanamide
CID 124536693
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
(2S)-N-benzyl-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-phenylpropanamide
CID 124717216
methyl (2R)-2-[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxoazepan-1-yl]-3-phenylpropanoate
CID 22836880
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
N-benzylcyclopentanecarboxamide
CID 835634
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
(2S)-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-ethyl-3-phenylpropanamide
CID 129450259
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide (CID 59757318) is (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide is N[C@H]1CCCCN([C@H](Cc2ccccc2)C(=O)NCc2ccccc2)C1=O.
What is the InChIKey of (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide?
The InChIKey is BNLMWMIUMRZRIO-VQTJNVASSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-19-13-7-8-14-25(22(19)27)20(15-17-9-3-1-4-10-17)21(26)24-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,23H2,(H,24,26)/t19-,20+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide?
(2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-benzyl-3-phenylpropanamide is sourced from PubChem (CID 59757318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).