N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide

C24H28N2O3 — CID 133262290

IUPACN-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H28N2O3/c27-22(25-17-19-11-8-16-29-19)20-12-4-5-13-21(20)26-23(28)24(14-6-7-15-24)18-9-2-1-3-10-18/h1-5,9-10,12-13,19H,6-8,11,14-17H2,(H,25,27)(H,26,28)
InChIKeyHSQRXJKPHUDKBV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.05
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide

N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide (PubChem CID 133262290) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
PubChem CID133262290
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H28N2O3/c27-22(25-17-19-11-8-16-29-19)20-12-4-5-13-21(20)26-23(28)24(14-6-7-15-24)18-9-2-1-3-10-18/h1-5,9-10,12-13,19H,6-8,11,14-17H2,(H,25,27)(H,26,28)
InChIKeyHSQRXJKPHUDKBV-UHFFFAOYSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.05
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-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
N-(oxolan-2-ylmethyl)-2-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 4935553
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
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

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide (CID 133262290) is N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide is O=C(NCC1CCCO1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
The InChIKey is HSQRXJKPHUDKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-22(25-17-19-11-8-16-29-19)20-12-4-5-13-21(20)26-23(28)24(14-6-7-15-24)18-9-2-1-3-10-18/h1-5,9-10,12-13,19H,6-8,11,14-17H2,(H,25,27)(H,26,28).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide?
N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide is sourced from PubChem (CID 133262290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).