3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide

C20H25N3O2 — CID 120587025

IUPAC3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-4-23(5-2)18(24)15-10-9-13-17(14-15)22-19(25)20(3,21)16-11-7-6-8-12-16/h6-14H,4-5,21H2,1-3H3,(H,22,25)
InChIKeyXFWLLUGBHNLHTO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.98
Rot. Bonds6

About 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide

3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide (PubChem CID 120587025) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
PubChem CID120587025
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-4-23(5-2)18(24)15-10-9-13-17(14-15)22-19(25)20(3,21)16-11-7-6-8-12-16/h6-14H,4-5,21H2,1-3H3,(H,22,25)
InChIKeyXFWLLUGBHNLHTO-UHFFFAOYSA-N
XLogP2.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide 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

3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568240
2-amino-N-[3-(diethylaminomethyl)phenyl]-2-phenylpropanamide
CID 120595517
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 134057619
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
2-amino-2-phenyl-N-[3-(propylsulfonylamino)phenyl]propanamide;hydrochloride
CID 120592815
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide (CID 120587025) is 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)C(C)(N)c2ccccc2)c1.
What is the InChIKey of 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide?
The InChIKey is XFWLLUGBHNLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-23(5-2)18(24)15-10-9-13-17(14-15)22-19(25)20(3,21)16-11-7-6-8-12-16/h6-14H,4-5,21H2,1-3H3,(H,22,25).
What are the key properties of 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide?
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 120587025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).