N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

C24H30N2O3 — CID 46442303

IUPACN-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)(C)c1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-11-9-17(10-12-19)13-14-25-22(27)18-6-4-7-20(16-18)26-23(28)21-8-5-15-29-21/h4,6-7,9-12,16,21H,5,8,13-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyOASBRXTYGOMAMP-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.07
Rot. Bonds6

About N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 46442303) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID46442303
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)(C)c1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-11-9-17(10-12-19)13-14-25-22(27)18-6-4-7-20(16-18)26-23(28)21-8-5-15-29-21/h4,6-7,9-12,16,21H,5,8,13-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyOASBRXTYGOMAMP-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 52509495
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 31941052
N-[3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134002018
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 46442303) is N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is CC(C)(C)c1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is OASBRXTYGOMAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)19-11-9-17(10-12-19)13-14-25-22(27)18-6-4-7-20(16-18)26-23(28)21-8-5-15-29-21/h4,6-7,9-12,16,21H,5,8,13-15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46442303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).