4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide

C20H27N3O — CID 119433593

IUPAC4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCCNC)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(16-17-8-5-4-6-9-17)19-12-10-18(11-13-19)20(24)22-15-7-14-21-2/h4-6,8-13,21H,3,7,14-16H2,1-2H3,(H,22,24)
InChIKeyPVHGXPKAUATRAN-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.05
Rot. Bonds9

About 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide

4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide (PubChem CID 119433593) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
PubChem CID119433593
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCCNC)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(16-17-8-5-4-6-9-17)19-12-10-18(11-13-19)20(24)22-15-7-14-21-2/h4-6,8-13,21H,3,7,14-16H2,1-2H3,(H,22,24)
InChIKeyPVHGXPKAUATRAN-UHFFFAOYSA-N
XLogP3.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide 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-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
CID 119458968
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide (CID 119433593) is 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide is CCN(Cc1ccccc1)c1ccc(C(=O)NCCCNC)cc1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is PVHGXPKAUATRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(16-17-8-5-4-6-9-17)19-12-10-18(11-13-19)20(24)22-15-7-14-21-2/h4-6,8-13,21H,3,7,14-16H2,1-2H3,(H,22,24).
What are the key properties of 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide?
4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 325.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119433593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).