N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C21H24N2O3 — CID 46634844

IUPACN-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H24N2O3/c1-3-15-8-4-7-14(2)19(15)23-20(24)16-9-5-10-17(13-16)22-21(25)18-11-6-12-26-18/h4-5,7-10,13,18H,3,6,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBCDQVWBHEUCBOM-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 46634844) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID46634844
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H24N2O3/c1-3-15-8-4-7-14(2)19(15)23-20(24)16-9-5-10-17(13-16)22-21(25)18-11-6-12-26-18/h4-5,7-10,13,18H,3,6,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBCDQVWBHEUCBOM-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42891560
(2S)-N-[3-[[4-(dimethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94108693

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 46634844) is N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is BCDQVWBHEUCBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-15-8-4-7-14(2)19(15)23-20(24)16-9-5-10-17(13-16)22-21(25)18-11-6-12-26-18/h4-5,7-10,13,18H,3,6,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46634844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).