5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide

C15H23ClN2O — CID 104683907

IUPAC5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
SMILESCCC(NC(=O)C(C)CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-3-14(12-6-8-13(16)9-7-12)18-15(19)11(2)5-4-10-17/h6-9,11,14H,3-5,10,17H2,1-2H3,(H,18,19)
InChIKeyVOOAHGYDRXXTOP-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.28
Rot. Bonds7

About 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide

5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide (PubChem CID 104683907) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
PubChem CID104683907
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
SMILESCCC(NC(=O)C(C)CCCN)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-3-14(12-6-8-13(16)9-7-12)18-15(19)11(2)5-4-10-17/h6-9,11,14H,3-5,10,17H2,1-2H3,(H,18,19)
InChIKeyVOOAHGYDRXXTOP-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 65225138
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
CID 166291370
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
(3S)-3-amino-4-[[(2R)-1-[[(1S)-1-(4-chlorophenyl)propyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 22883019
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide (CID 104683907) is 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide is CCC(NC(=O)C(C)CCCN)c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide?
The InChIKey is VOOAHGYDRXXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-14(12-6-8-13(16)9-7-12)18-15(19)11(2)5-4-10-17/h6-9,11,14H,3-5,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide?
5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide is sourced from PubChem (CID 104683907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).