N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide

C16H22N2O3 — CID 2977042

IUPACN-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)10-17-15(19)12-5-3-6-13(9-12)18-16(20)14-7-4-8-21-14/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGHJSEQLUAAEBKH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 2977042) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID2977042
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)10-17-15(19)12-5-3-6-13(9-12)18-16(20)14-7-4-8-21-14/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGHJSEQLUAAEBKH-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 2977042) is N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is GHJSEQLUAAEBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)10-17-15(19)12-5-3-6-13(9-12)18-16(20)14-7-4-8-21-14/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2977042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).