N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide

C20H25N3O3 — CID 119419213

IUPACN-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C20H25N3O3/c1-3-7-17(23-19(24)12-14-8-5-4-6-9-14)20(25)22-15-10-11-18(26-2)16(21)13-15/h4-6,8-11,13,17H,3,7,12,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNGSOYRMVVOEFMX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds8

About N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide

N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide (PubChem CID 119419213) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
PubChem CID119419213
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C20H25N3O3/c1-3-7-17(23-19(24)12-14-8-5-4-6-9-14)20(25)22-15-10-11-18(26-2)16(21)13-15/h4-6,8-11,13,17H,3,7,12,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNGSOYRMVVOEFMX-UHFFFAOYSA-N
XLogP2.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119419212
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 119419225
N-(3-amino-4-methoxyphenyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119419271
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119419687
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
2-[4-[[(2S)-6-amino-2-[[5-[[(2S)-7-amino-2-[[5-[[(2S)-6-amino-2-[(2-phenylacetyl)amino]hexanoyl]amino]-2-methoxybenzoyl]amino]heptanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-[[(2S)-6-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxohexan-2-yl]carbamoyl]phenoxy]acetic acid
CID 139502454
benzyl N-[1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 43007898

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide (CID 119419213) is N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide is CCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OC)c(N)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide?
The InChIKey is NGSOYRMVVOEFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-7-17(23-19(24)12-14-8-5-4-6-9-14)20(25)22-15-10-11-18(26-2)16(21)13-15/h4-6,8-11,13,17H,3,7,12,21H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide?
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide has a molecular weight of 355.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide is sourced from PubChem (CID 119419213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).