4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119297917

IUPAC4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-3-8-15-13(18)10-4-6-11(7-5-10)16-12(17)9(2)14;/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17);1H/t9-;/m1./s1
InChIKeyCMOKXXCIZZIKGA-SBSPUUFOSA-N
MW285.78 g/mol
LogP1.53
Rot. Bonds5

About 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride

4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride (PubChem CID 119297917) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
PubChem CID119297917
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-3-8-15-13(18)10-4-6-11(7-5-10)16-12(17)9(2)14;/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17);1H/t9-;/m1./s1
InChIKeyCMOKXXCIZZIKGA-SBSPUUFOSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
CID 78972443
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride (CID 119297917) is 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride?
The InChIKey is CMOKXXCIZZIKGA-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-3-8-15-13(18)10-4-6-11(7-5-10)16-12(17)9(2)14;/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17);1H/t9-;/m1./s1.
What are the key properties of 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride?
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119297917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).