2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C27H28N2O3 — CID 41168092

IUPAC2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C27H28N2O3/c30-26(18-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21)29-25-16-8-7-15-23(25)27(31)28-19-22-14-9-17-32-22/h1-8,10-13,15-16,22,24H,9,14,17-19H2,(H,28,31)(H,29,30)/t22-/m0/s1
InChIKeyKXOIQAOVGAJFIL-QFIPXVFZSA-N
MW428.53 g/mol
LogP4.76
Rot. Bonds8

About 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 41168092) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID41168092
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C27H28N2O3/c30-26(18-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21)29-25-16-8-7-15-23(25)27(31)28-19-22-14-9-17-32-22/h1-8,10-13,15-16,22,24H,9,14,17-19H2,(H,28,31)(H,29,30)/t22-/m0/s1
InChIKeyKXOIQAOVGAJFIL-QFIPXVFZSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 133262290
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 41168092) is 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is KXOIQAOVGAJFIL-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-26(18-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21)29-25-16-8-7-15-23(25)27(31)28-19-22-14-9-17-32-22/h1-8,10-13,15-16,22,24H,9,14,17-19H2,(H,28,31)(H,29,30)/t22-/m0/s1.
What are the key properties of 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 41168092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).