4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide

C20H25N3O2 — CID 119749170

IUPAC4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-21-14-5-8-19(24)23-18-11-9-17(10-12-18)20(25)22-15-13-16-6-3-2-4-7-16/h2-4,6-7,9-12,21H,5,8,13-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyUVEYQBMKRHFQEE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.60
Rot. Bonds9

About 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide

4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide (PubChem CID 119749170) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
PubChem CID119749170
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
SMILESCNCCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-21-14-5-8-19(24)23-18-11-9-17(10-12-18)20(25)22-15-13-16-6-3-2-4-7-16/h2-4,6-7,9-12,21H,5,8,13-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyUVEYQBMKRHFQEE-UHFFFAOYSA-N
XLogP2.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,2-dimethyl-4-oxo-4-[4-(2-phenylethylcarbamoyl)anilino]butanoic acid
CID 119133692
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide (CID 119749170) is 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide is CNCCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is UVEYQBMKRHFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-14-5-8-19(24)23-18-11-9-17(10-12-18)20(25)22-15-13-16-6-3-2-4-7-16/h2-4,6-7,9-12,21H,5,8,13-15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide?
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 119749170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).