3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride

C20H26ClN3O2 — CID 120667273

IUPAC3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)C(N)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-11-22-19(24)17-6-4-5-15(12-17)13-23-20(25)18(21)16-9-7-14(2)8-10-16;/h4-10,12,18H,3,11,13,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyYXXUPYNWLPMJGA-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.87
Rot. Bonds7

About 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride

3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride (PubChem CID 120667273) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride
PubChem CID120667273
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)C(N)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-11-22-19(24)17-6-4-5-15(12-17)13-23-20(25)18(21)16-9-7-14(2)8-10-16;/h4-10,12,18H,3,11,13,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyYXXUPYNWLPMJGA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
3-[[(3-amino-3-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 119949768
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753
2-amino-2-(4-methylphenyl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667859
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669979
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
CID 86996508
3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]-N-propylbenzamide;hydroiodide
CID 111228390

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride (CID 120667273) is 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1cccc(CNC(=O)C(N)c2ccc(C)cc2)c1.Cl.
What is the InChIKey of 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride?
The InChIKey is YXXUPYNWLPMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-11-22-19(24)17-6-4-5-15(12-17)13-23-20(25)18(21)16-9-7-14(2)8-10-16;/h4-10,12,18H,3,11,13,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of 3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride?
3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.87, 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-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 120667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).