3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride

C20H26ClN3O2 — CID 120588629

IUPAC3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)C(C)(N)c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-12-22-18(24)16-9-7-8-15(13-16)14-23-19(25)20(2,21)17-10-5-4-6-11-17;/h4-11,13H,3,12,14,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyVXHUFOHDAQADHL-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.74
Rot. Bonds7

About 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride

3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride (PubChem CID 120588629) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
PubChem CID120588629
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)C(C)(N)c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-12-22-18(24)16-9-7-8-15(13-16)14-23-19(25)20(2,21)17-10-5-4-6-11-17;/h4-11,13H,3,12,14,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyVXHUFOHDAQADHL-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride 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]methyl]-N-propylbenzamide
CID 120588630
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 119949768
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
CID 120593008
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 120587900
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride (CID 120588629) is 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(CNC(=O)C(C)(N)c2ccccc2)c1.Cl.
What is the InChIKey of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
The InChIKey is VXHUFOHDAQADHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-12-22-18(24)16-9-7-8-15(13-16)14-23-19(25)20(2,21)17-10-5-4-6-11-17;/h4-11,13H,3,12,14,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 120588629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).