N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide

C25H26N2O2 — CID 110309440

IUPACN-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide
SMILESCC(Cc1ccccc1)(C(=O)NCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-25(22-15-9-4-10-16-22,19-20-11-5-2-6-12-20)24(29)27-18-17-26-23(28)21-13-7-3-8-14-21/h2-16H,17-19H2,1H3,(H,26,28)(H,27,29)
InChIKeyHUGOZHBARIRKQI-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.73
Rot. Bonds8

About N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide

N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide (PubChem CID 110309440) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide
PubChem CID110309440
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide
SMILESCC(Cc1ccccc1)(C(=O)NCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-25(22-15-9-4-10-16-22,19-20-11-5-2-6-12-20)24(29)27-18-17-26-23(28)21-13-7-3-8-14-21/h2-16H,17-19H2,1H3,(H,26,28)(H,27,29)
InChIKeyHUGOZHBARIRKQI-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide
CID 110357212
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2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]benzamide
CID 151467935
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide (CID 110309440) is N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide is CC(Cc1ccccc1)(C(=O)NCCNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide?
The InChIKey is HUGOZHBARIRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-25(22-15-9-4-10-16-22,19-20-11-5-2-6-12-20)24(29)27-18-17-26-23(28)21-13-7-3-8-14-21/h2-16H,17-19H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide?
N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-2,3-diphenylpropanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 110309440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).