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

C14H23ClN2O — CID 119331955

IUPAC2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccccc1CC.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-7-13(15)14(17)16-10-12-9-6-5-8-11(12)4-2;/h5-6,8-9,13H,3-4,7,10,15H2,1-2H3,(H,16,17);1H
InChIKeyRRITWLXDXYQYCK-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.41
Rot. Bonds6

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

2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119331955) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119331955
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccccc1CC.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-7-13(15)14(17)16-10-12-9-6-5-8-11(12)4-2;/h5-6,8-9,13H,3-4,7,10,15H2,1-2H3,(H,16,17);1H
InChIKeyRRITWLXDXYQYCK-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride (CID 119331955) is 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccccc1CC.Cl.
What is the InChIKey of 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is RRITWLXDXYQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-3-7-13(15)14(17)16-10-12-9-6-5-8-11(12)4-2;/h5-6,8-9,13H,3-4,7,10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride?
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119331955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).