3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride

C19H24ClN3O2 — CID 120593007

IUPAC3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(CCNC(=O)C(C)(N)c2ccccc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-19(20,16-9-4-3-5-10-16)18(24)22-12-11-14-7-6-8-15(13-14)17(23)21-2;/h3-10,13H,11-12,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyUSAXVCGZXKKZKE-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.00
Rot. Bonds6

About 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride

3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride (PubChem CID 120593007) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
PubChem CID120593007
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1cccc(CCNC(=O)C(C)(N)c2ccccc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-19(20,16-9-4-3-5-10-16)18(24)22-12-11-14-7-6-8-15(13-14)17(23)21-2;/h3-10,13H,11-12,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyUSAXVCGZXKKZKE-UHFFFAOYSA-N
XLogP2.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
CID 120593008
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]benzoic acid
CID 120512961
3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
CID 120611139
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589098
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 120587900
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid
CID 63793901
3-[2-[[N-[3-(benzylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633471

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride (CID 120593007) is 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride is CNC(=O)c1cccc(CCNC(=O)C(C)(N)c2ccccc2)c1.Cl.
What is the InChIKey of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride?
The InChIKey is USAXVCGZXKKZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-19(20,16-9-4-3-5-10-16)18(24)22-12-11-14-7-6-8-15(13-14)17(23)21-2;/h3-10,13H,11-12,20H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride?
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 120593007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).