N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C19H20N2O4 — CID 17171637

IUPACN-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-12-4-9-16(22)15(11-12)21-18(23)13-5-7-14(8-6-13)20-19(24)17-3-2-10-25-17/h4-9,11,17,22H,2-3,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyJZSGLHZWCYOFSN-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.07
Rot. Bonds4

About N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 17171637) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID17171637
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c1
InChIInChI=1S/C19H20N2O4/c1-12-4-9-16(22)15(11-12)21-18(23)13-5-7-14(8-6-13)20-19(24)17-3-2-10-25-17/h4-9,11,17,22H,2-3,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyJZSGLHZWCYOFSN-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
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 6460297
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 17171637) is N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is Cc1ccc(O)c(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c1.
What is the InChIKey of N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is JZSGLHZWCYOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-4-9-16(22)15(11-12)21-18(23)13-5-7-14(8-6-13)20-19(24)17-3-2-10-25-17/h4-9,11,17,22H,2-3,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]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-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 17171637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).