(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide

C20H22N2O3 — CID 37396628

IUPAC(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1C
InChIInChI=1S/C20H22N2O3/c1-13-5-3-6-17(14(13)2)19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeySYKXPCSEGHCDJH-GOSISDBHSA-N
MW338.41 g/mol
LogP3.67
Rot. Bonds4

About (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide

(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 37396628) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID37396628
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1C
InChIInChI=1S/C20H22N2O3/c1-13-5-3-6-17(14(13)2)19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeySYKXPCSEGHCDJH-GOSISDBHSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396701
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 6460297
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37395388
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-phenyloxolane-2-carboxamide
CID 3453643
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide (CID 37396628) is (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1C.
What is the InChIKey of (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is SYKXPCSEGHCDJH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-5-3-6-17(14(13)2)19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-25-18/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 37396628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).