2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride

C13H21ClN2O — CID 119281680

IUPAC2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1cccc(C)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-5-12(14)13(16)15-9-11-7-4-6-10(2)8-11;/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16);1H
InChIKeyNORQVTDZUYQNSF-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride

2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119281680) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119281680
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1cccc(C)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-5-12(14)13(16)15-9-11-7-4-6-10(2)8-11;/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16);1H
InChIKeyNORQVTDZUYQNSF-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
2-amino-N-benzylpentanamide
CID 11020044
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
methyl 2-[(2-aminopentanoylamino)methyl]-3-(3-methylphenyl)propanoate
CID 119320341
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
3-[(2-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287338
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119301023
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride (CID 119281680) is 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1cccc(C)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is NORQVTDZUYQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-3-5-12(14)13(16)15-9-11-7-4-6-10(2)8-11;/h4,6-8,12H,3,5,9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride?
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119281680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).