2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride

C14H23ClN2O2 — CID 119302579

IUPAC2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-5-12(15)14(17)16-9-11-7-6-10(2)13(8-11)18-3;/h6-8,12H,4-5,9,15H2,1-3H3,(H,16,17);1H
InChIKeyVEWOTLHEBWZRAO-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.17
Rot. Bonds6

About 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride

2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119302579) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119302579
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(C)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-5-12(15)14(17)16-9-11-7-6-10(2)13(8-11)18-3;/h6-8,12H,4-5,9,15H2,1-3H3,(H,16,17);1H
InChIKeyVEWOTLHEBWZRAO-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
2-amino-N-benzylpentanamide
CID 11020044
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
CID 119316740
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride (CID 119302579) is 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccc(C)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is VEWOTLHEBWZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-5-12(15)14(17)16-9-11-7-6-10(2)13(8-11)18-3;/h6-8,12H,4-5,9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride?
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119302579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).