3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride

C13H20ClN3O2 — CID 119284386

IUPAC3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-4-15-13(18)10-6-5-8(2)11(7-10)16-12(17)9(3)14;/h5-7,9H,4,14H2,1-3H3,(H,15,18)(H,16,17);1H/t9-;/m1./s1
InChIKeyVRMLAKPKVOSQCP-SBSPUUFOSA-N
MW285.78 g/mol
LogP1.45
Rot. Bonds4

About 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride

3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride (PubChem CID 119284386) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
PubChem CID119284386
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-4-15-13(18)10-6-5-8(2)11(7-10)16-12(17)9(3)14;/h5-7,9H,4,14H2,1-3H3,(H,15,18)(H,16,17);1H/t9-;/m1./s1
InChIKeyVRMLAKPKVOSQCP-SBSPUUFOSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;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-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 120667168
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-ethyl-4-methylbenzamide
CID 61178101
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride (CID 119284386) is 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride is CCNC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N)c1.Cl.
What is the InChIKey of 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
The InChIKey is VRMLAKPKVOSQCP-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-4-15-13(18)10-6-5-8(2)11(7-10)16-12(17)9(3)14;/h5-7,9H,4,14H2,1-3H3,(H,15,18)(H,16,17);1H/t9-;/m1./s1.
What are the key properties of 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119284386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).