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

C14H20ClN3O2 — CID 119810304

IUPACN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-14(13(16)20,10-5-3-6-11(15)9-10)18-12(19)7-4-8-17-2/h3,5-6,9,17H,4,7-8H2,1-2H3,(H2,16,20)(H,18,19)
InChIKeyNPABWRLKFQWPMK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.16
Rot. Bonds7

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

N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide (PubChem CID 119810304) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
PubChem CID119810304
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-14(13(16)20,10-5-3-6-11(15)9-10)18-12(19)7-4-8-17-2/h3,5-6,9,17H,4,7-8H2,1-2H3,(H2,16,20)(H,18,19)
InChIKeyNPABWRLKFQWPMK-UHFFFAOYSA-N
XLogP1.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119810317
4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
CID 119795625
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 71977399
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide (CID 119810304) is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)NC(C)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide?
The InChIKey is NPABWRLKFQWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(13(16)20,10-5-3-6-11(15)9-10)18-12(19)7-4-8-17-2/h3,5-6,9,17H,4,7-8H2,1-2H3,(H2,16,20)(H,18,19).
What are the key properties of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide?
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide has a molecular weight of 297.79 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).