2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride

C14H23ClN2O2 — CID 119266470

IUPAC2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-5-13(15)14(17)16(2)10-11-6-8-12(18-3)9-7-11;/h6-9,13H,4-5,10,15H2,1-3H3;1H
InChIKeyYSEHNBJZKOGLSI-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.20
Rot. Bonds6

About 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride

2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride (PubChem CID 119266470) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
PubChem CID119266470
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-5-13(15)14(17)16(2)10-11-6-8-12(18-3)9-7-11;/h6-9,13H,4-5,10,15H2,1-3H3;1H
InChIKeyYSEHNBJZKOGLSI-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
CID 103793940
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826
(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
CID 103830978
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride (CID 119266470) is 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride is CCCC(N)C(=O)N(C)Cc1ccc(OC)cc1.Cl.
What is the InChIKey of 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride?
The InChIKey is YSEHNBJZKOGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-5-13(15)14(17)16(2)10-11-6-8-12(18-3)9-7-11;/h6-9,13H,4-5,10,15H2,1-3H3;1H.
What are the key properties of 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride?
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 119266470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).