3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride

C19H24ClN3O2 — CID 120667168

IUPAC3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C(N)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-4-21-18(23)15-10-7-13(3)16(11-15)22-19(24)17(20)14-8-5-12(2)6-9-14;/h5-11,17H,4,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyOOMFUBQXVVSMDW-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.11
Rot. Bonds5

About 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride

3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride (PubChem CID 120667168) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
PubChem CID120667168
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C(N)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-4-21-18(23)15-10-7-13(3)16(11-15)22-19(24)17(20)14-8-5-12(2)6-9-14;/h5-11,17H,4,20H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyOOMFUBQXVVSMDW-UHFFFAOYSA-N
XLogP3.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
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
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
2-amino-2-(4-methylphenyl)-N-(2-propylphenyl)acetamide
CID 106312114
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride (CID 120667168) is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride is CCNC(=O)c1ccc(C)c(NC(=O)C(N)c2ccc(C)cc2)c1.Cl.
What is the InChIKey of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
The InChIKey is OOMFUBQXVVSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-4-21-18(23)15-10-7-13(3)16(11-15)22-19(24)17(20)14-8-5-12(2)6-9-14;/h5-11,17H,4,20H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride?
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.11, 5 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]-N-ethyl-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120667168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).