2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide

C14H20ClN3O2 — CID 119338812

IUPAC2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
SMILESCCCC(N)C(=O)NC(C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-3-5-11(16)12(19)18-14(2,13(17)20)9-6-4-7-10(15)8-9/h4,6-8,11H,3,5,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyBFQHZOASYFUMPD-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.28
Rot. Bonds6

About 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide

2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide (PubChem CID 119338812) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
PubChem CID119338812
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
SMILESCCCC(N)C(=O)NC(C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-3-5-11(16)12(19)18-14(2,13(17)20)9-6-4-7-10(15)8-9/h4,6-8,11H,3,5,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyBFQHZOASYFUMPD-UHFFFAOYSA-N
XLogP1.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
2-amino-N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]pentanamide
CID 119339882
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide (CID 119338812) is 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide is CCCC(N)C(=O)NC(C)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
The InChIKey is BFQHZOASYFUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-5-11(16)12(19)18-14(2,13(17)20)9-6-4-7-10(15)8-9/h4,6-8,11H,3,5,16H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide has a molecular weight of 297.79 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 119338812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).