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

C19H20N2O3 — CID 4198330

IUPACN-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-5-2-3-6-16(13)21-18(22)14-8-10-15(11-9-14)20-19(23)17-7-4-12-24-17/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyXIIFGEGBSDMMEJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.36
Rot. Bonds4

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

N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 4198330) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID4198330
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-5-2-3-6-16(13)21-18(22)14-8-10-15(11-9-14)20-19(23)17-7-4-12-24-17/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyXIIFGEGBSDMMEJ-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 4198330) is N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is XIIFGEGBSDMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-5-2-3-6-16(13)21-18(22)14-8-10-15(11-9-14)20-19(23)17-7-4-12-24-17/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4198330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).