2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride

C14H23ClN2O2 — CID 119775504

IUPAC2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1cccc(CO)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-7-14(2,15)13(18)16-9-11-5-4-6-12(8-11)10-17;/h4-6,8,17H,3,7,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyDJQQLPWSWZFHHW-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.73
Rot. Bonds6

About 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride

2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride (PubChem CID 119775504) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
PubChem CID119775504
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1cccc(CO)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-7-14(2,15)13(18)16-9-11-5-4-6-12(8-11)10-17;/h4-6,8,17H,3,7,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyDJQQLPWSWZFHHW-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
CID 119757053
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
CID 119731398
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119775484
2-amino-3,3,3-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 107218398
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119718098
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride (CID 119775504) is 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCc1cccc(CO)c1.Cl.
What is the InChIKey of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride?
The InChIKey is DJQQLPWSWZFHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-3-7-14(2,15)13(18)16-9-11-5-4-6-12(8-11)10-17;/h4-6,8,17H,3,7,9-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119775504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).