2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride

C14H23ClN2O — CID 119285242

IUPAC2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C)cc1C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-5-13(15)14(17)16-9-12-7-6-10(2)8-11(12)3;/h6-8,13H,4-5,9,15H2,1-3H3,(H,16,17);1H
InChIKeyFOKPEPHLUXALKG-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride

2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119285242) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119285242
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C)cc1C.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-5-13(15)14(17)16-9-12-7-6-10(2)8-11(12)3;/h6-8,13H,4-5,9,15H2,1-3H3,(H,16,17);1H
InChIKeyFOKPEPHLUXALKG-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-chloro-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82110635
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119322092
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
2-acetamido-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 75871769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride (CID 119285242) is 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccc(C)cc1C.Cl.
What is the InChIKey of 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is FOKPEPHLUXALKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-5-13(15)14(17)16-9-12-7-6-10(2)8-11(12)3;/h6-8,13H,4-5,9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride?
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119285242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).