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

C20H26ClN3O3 — CID 119419212

IUPACN-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OC)c(N)c1.Cl
InChIInChI=1S/C20H25N3O3.ClH/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);1H
InChIKeyVHXZLKCQSWDBHW-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.17
Rot. Bonds8

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

N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride (PubChem CID 119419212) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
PubChem CID119419212
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OC)c(N)c1.Cl
InChIInChI=1S/C20H25N3O3.ClH/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);1H
InChIKeyVHXZLKCQSWDBHW-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.17
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-[(2-phenylacetyl)amino]pentanamide
CID 119419213
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119419271
N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 119419225
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
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride (CID 119419212) is N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride is CCCC(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OC)c(N)c1.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride?
The InChIKey is VHXZLKCQSWDBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/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);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 3.17, 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;hydrochloride is sourced from PubChem (CID 119419212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).