N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide

C19H20N2O4 — CID 6460297

IUPACN-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1O
InChIInChI=1S/C19H20N2O4/c1-12-5-2-3-6-14(12)18(23)21-15-9-8-13(11-16(15)22)20-19(24)17-7-4-10-25-17/h2-3,5-6,8-9,11,17,22H,4,7,10H2,1H3,(H,20,24)(H,21,23)
InChIKeySMRHYHDIOQSSCC-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.07
Rot. Bonds4

About N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide

N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 6460297) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID6460297
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1O
InChIInChI=1S/C19H20N2O4/c1-12-5-2-3-6-14(12)18(23)21-15-9-8-13(11-16(15)22)20-19(24)17-7-4-10-25-17/h2-3,5-6,8-9,11,17,22H,4,7,10H2,1H3,(H,20,24)(H,21,23)
InChIKeySMRHYHDIOQSSCC-UHFFFAOYSA-N
XLogP3.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
CID 17362172
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396701
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 99782579
N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 17171637
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide (CID 6460297) is N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide is Cc1ccccc1C(=O)Nc1ccc(NC(=O)C2CCCO2)cc1O.
What is the InChIKey of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is SMRHYHDIOQSSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-5-2-3-6-14(12)18(23)21-15-9-8-13(11-16(15)22)20-19(24)17-7-4-10-25-17/h2-3,5-6,8-9,11,17,22H,4,7,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide?
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 6460297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).