4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

C25H32N2O3 — CID 54782327

IUPAC4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C25H32N2O3/c1-17(2)15-19-6-8-20(9-7-19)18(3)24(28)27-22-12-10-21(11-13-22)25(29)26-16-23-5-4-14-30-23/h6-13,17-18,23H,4-5,14-16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyFRPZONHRUDLNTB-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.54
Rot. Bonds8

About 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54782327) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54782327
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C25H32N2O3/c1-17(2)15-19-6-8-20(9-7-19)18(3)24(28)27-22-12-10-21(11-13-22)25(29)26-16-23-5-4-14-30-23/h6-13,17-18,23H,4-5,14-16H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyFRPZONHRUDLNTB-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
5-(2-methylpropyl)-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870153
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
2-[4-(2-methylpropyl)phenyl]-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]propanamide
CID 54782377
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54815140
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 54782327) is 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is CC(C)Cc1ccc(C(C)C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FRPZONHRUDLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17(2)15-19-6-8-20(9-7-19)18(3)24(28)27-22-12-10-21(11-13-22)25(29)26-16-23-5-4-14-30-23/h6-13,17-18,23H,4-5,14-16H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 408.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54782327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).