N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide

C20H25N3O3 — CID 119419225

IUPACN-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(NC(=O)CC(C)C)c2ccccc2)cc1N
InChIInChI=1S/C20H25N3O3/c1-13(2)11-18(24)23-19(14-7-5-4-6-8-14)20(25)22-15-9-10-17(26-3)16(21)12-15/h4-10,12-13,19H,11,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWAEUNBWEGURGIS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide

N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide (PubChem CID 119419225) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
PubChem CID119419225
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(NC(=O)CC(C)C)c2ccccc2)cc1N
InChIInChI=1S/C20H25N3O3/c1-13(2)11-18(24)23-19(14-7-5-4-6-8-14)20(25)22-15-9-10-17(26-3)16(21)12-15/h4-10,12-13,19H,11,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWAEUNBWEGURGIS-UHFFFAOYSA-N
XLogP3.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 119419213
N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
CID 119420495
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119419212
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119419271
3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide
CID 56522069
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
N-(3-amino-4-methoxyphenyl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119419024

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide (CID 119419225) is N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide is COc1ccc(NC(=O)C(NC(=O)CC(C)C)c2ccccc2)cc1N.
What is the InChIKey of N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide?
The InChIKey is WAEUNBWEGURGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)11-18(24)23-19(14-7-5-4-6-8-14)20(25)22-15-9-10-17(26-3)16(21)12-15/h4-10,12-13,19H,11,21H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide?
N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide has a molecular weight of 355.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 119419225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).