N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride

C15H25ClN2O2 — CID 119419024

IUPACN-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
SMILESCCC(CC(=O)Nc1ccc(OC)c(N)c1)C(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-5-11(10(2)3)8-15(18)17-12-6-7-14(19-4)13(16)9-12;/h6-7,9-11H,5,8,16H2,1-4H3,(H,17,18);1H
InChIKeyCQPPCEOQBOSBOU-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.71
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride (PubChem CID 119419024) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
PubChem CID119419024
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
SMILESCCC(CC(=O)Nc1ccc(OC)c(N)c1)C(C)C.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-5-11(10(2)3)8-15(18)17-12-6-7-14(19-4)13(16)9-12;/h6-7,9-11H,5,8,16H2,1-4H3,(H,17,18);1H
InChIKeyCQPPCEOQBOSBOU-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
CID 119420495
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119419483
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
CID 86901200
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride (CID 119419024) is N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride is CCC(CC(=O)Nc1ccc(OC)c(N)c1)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride?
The InChIKey is CQPPCEOQBOSBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-5-11(10(2)3)8-15(18)17-12-6-7-14(19-4)13(16)9-12;/h6-7,9-11H,5,8,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119419024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).