N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide

C14H22N2O2 — CID 119420495

IUPACN-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
SMILESCOc1ccc(NC(=O)CC(C)C(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-9(2)10(3)7-14(17)16-11-5-6-13(18-4)12(15)8-11/h5-6,8-10H,7,15H2,1-4H3,(H,16,17)
InChIKeyYRUODZHFOAYYIF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.90
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide

N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide (PubChem CID 119420495) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
PubChem CID119420495
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
SMILESCOc1ccc(NC(=O)CC(C)C(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-9(2)10(3)7-14(17)16-11-5-6-13(18-4)12(15)8-11/h5-6,8-10H,7,15H2,1-4H3,(H,16,17)
InChIKeyYRUODZHFOAYYIF-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.90
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-ethyl-4-methylpentanamide;hydrochloride
CID 119419024
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
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)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119420511
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119419433
3-acetamido-N-(3-amino-4-methoxyphenyl)-3-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119419483
N-(3-amino-4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119419812
N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 119419225

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide (CID 119420495) is N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide is COc1ccc(NC(=O)CC(C)C(C)C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide?
The InChIKey is YRUODZHFOAYYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10(3)7-14(17)16-11-5-6-13(18-4)12(15)8-11/h5-6,8-10H,7,15H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide?
N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.90, 5 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)-3,4-dimethylpentanamide is sourced from PubChem (CID 119420495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).