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

C20H26ClN3O2 — CID 119949768

IUPAC3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)CC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-11-22-20(25)17-10-6-7-15(12-17)14-23-19(24)13-18(21)16-8-4-3-5-9-16;/h3-10,12,18H,2,11,13-14,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyVIVXJXLIQBRZER-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.95
Rot. Bonds8

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

3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride (PubChem CID 119949768) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
PubChem CID119949768
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)CC(N)c2ccccc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-11-22-20(25)17-10-6-7-15(12-17)14-23-19(24)13-18(21)16-8-4-3-5-9-16;/h3-10,12,18H,2,11,13-14,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyVIVXJXLIQBRZER-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 120667273
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride (CID 119949768) is 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(CNC(=O)CC(N)c2ccccc2)c1.Cl.
What is the InChIKey of 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
The InChIKey is VIVXJXLIQBRZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-2-11-22-20(25)17-10-6-7-15(12-17)14-23-19(24)13-18(21)16-8-4-3-5-9-16;/h3-10,12,18H,2,11,13-14,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride?
3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119949768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).