N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide

C30H28N2O2 — CID 17311665

IUPACN-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O2/c1-32(22-23-13-5-2-6-14-23)30(34)26-19-11-12-20-28(26)31-29(33)21-27(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20,27H,21-22H2,1H3,(H,31,33)
InChIKeyPDBOTNHDWFABCF-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.12
Rot. Bonds8

About N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide

N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide (PubChem CID 17311665) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
PubChem CID17311665
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC NameN-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O2/c1-32(22-23-13-5-2-6-14-23)30(34)26-19-11-12-20-28(26)31-29(33)21-27(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20,27H,21-22H2,1H3,(H,31,33)
InChIKeyPDBOTNHDWFABCF-UHFFFAOYSA-N
XLogP6.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
CID 17311793
N-benzyl-N-methyl-2-(propanoylcarbamothioylamino)benzamide
CID 4937547
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
N-benzyl-N-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 4937337
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 17312378
N-benzyl-N-methyl-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163913
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide?
The IUPAC name of N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide (CID 17311665) is N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide?
The InChIKey is PDBOTNHDWFABCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-32(22-23-13-5-2-6-14-23)30(34)26-19-11-12-20-28(26)31-29(33)21-27(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20,27H,21-22H2,1H3,(H,31,33).
What are the key properties of N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide?
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide has a molecular weight of 448.57 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide is sourced from PubChem (CID 17311665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).