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

C14H20ClN3O2 — CID 120563651

IUPAC4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
SMILESCC(N)CCC(=O)NC(C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-9(16)6-7-12(19)18-14(2,13(17)20)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyIGUAAWVMRNGUEJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.28
Rot. Bonds6

About 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide

4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide (PubChem CID 120563651) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
PubChem CID120563651
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
SMILESCC(N)CCC(=O)NC(C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-9(16)6-7-12(19)18-14(2,13(17)20)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyIGUAAWVMRNGUEJ-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

4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 71977399
N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 97085555
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide (CID 120563651) is 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide is CC(N)CCC(=O)NC(C)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
The InChIKey is IGUAAWVMRNGUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(16)6-7-12(19)18-14(2,13(17)20)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide?
4-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 4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 120563651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).