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

C19H23N3O2 — CID 120593008

IUPAC3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CCNC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/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)
InChIKeyACVRKWKPVQHDET-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.58
Rot. Bonds6

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

3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide (PubChem CID 120593008) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
PubChem CID120593008
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CCNC(=O)C(C)(N)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2/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)
InChIKeyACVRKWKPVQHDET-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]benzoic acid
CID 120512961
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
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
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
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 139003405
3-[2-[[N-[2-(3-bromophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634425

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide (CID 120593008) is 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide is CNC(=O)c1cccc(CCNC(=O)C(C)(N)c2ccccc2)c1.
What is the InChIKey of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide?
The InChIKey is ACVRKWKPVQHDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/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).
What are the key properties of 3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide?
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 1.58, 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 is sourced from PubChem (CID 120593008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).