N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C21H24N2O3 — CID 42891560

IUPACN-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(C(=O)c1cccc(NC(=O)C2CCCO2)c1)c1ccccc1C
InChIInChI=1S/C21H24N2O3/c1-3-23(18-11-5-4-8-15(18)2)21(25)16-9-6-10-17(14-16)22-20(24)19-12-7-13-26-19/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,22,24)
InChIKeyLVUBYNIFGDWCMP-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds5

About N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42891560) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42891560
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(C(=O)c1cccc(NC(=O)C2CCCO2)c1)c1ccccc1C
InChIInChI=1S/C21H24N2O3/c1-3-23(18-11-5-4-8-15(18)2)21(25)16-9-6-10-17(14-16)22-20(24)19-12-7-13-26-19/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,22,24)
InChIKeyLVUBYNIFGDWCMP-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634844
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 42891560) is N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is CCN(C(=O)c1cccc(NC(=O)C2CCCO2)c1)c1ccccc1C.
What is the InChIKey of N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is LVUBYNIFGDWCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-23(18-11-5-4-8-15(18)2)21(25)16-9-6-10-17(14-16)22-20(24)19-12-7-13-26-19/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42891560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).