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

C20H26ClN3O2 — CID 119287362

IUPAC3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-11-22-19(24)17-10-6-9-16(12-17)14-23-20(25)18(21)13-15-7-4-3-5-8-15;/h3-10,12,18H,2,11,13-14,21H2,1H3,(H,22,24)(H,23,25);1H/t18-;/m0./s1
InChIKeyGYXOCUJCAANEAI-FERBBOLQSA-N
MW375.90 g/mol
LogP2.43
Rot. Bonds8

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

3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride (PubChem CID 119287362) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
PubChem CID119287362
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-11-22-19(24)17-10-6-9-16(12-17)14-23-20(25)18(21)13-15-7-4-3-5-8-15;/h3-10,12,18H,2,11,13-14,21H2,1H3,(H,22,24)(H,23,25);1H/t18-;/m0./s1
InChIKeyGYXOCUJCAANEAI-FERBBOLQSA-N
XLogP2.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 119949768
3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 120667273
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119323433
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride (CID 119287362) is 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1.Cl.
What is the InChIKey of 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride?
The InChIKey is GYXOCUJCAANEAI-FERBBOLQSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-2-11-22-19(24)17-10-6-9-16(12-17)14-23-20(25)18(21)13-15-7-4-3-5-8-15;/h3-10,12,18H,2,11,13-14,21H2,1H3,(H,22,24)(H,23,25);1H/t18-;/m0./s1.
What are the key properties of 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride?
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119287362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).