N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide

C17H22N2O3 — CID 71839026

IUPACN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)C3CCCO3)C2=O)cc1C
InChIInChI=1S/C17H22N2O3/c1-11-5-6-13(10-12(11)2)19-8-7-14(17(19)21)18-16(20)15-4-3-9-22-15/h5-6,10,14-15H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyYWDQWELNWUDATC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.70
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide

N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide (PubChem CID 71839026) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
PubChem CID71839026
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
SMILESCc1ccc(N2CCC(NC(=O)C3CCCO3)C2=O)cc1C
InChIInChI=1S/C17H22N2O3/c1-11-5-6-13(10-12(11)2)19-8-7-14(17(19)21)18-16(20)15-4-3-9-22-15/h5-6,10,14-15H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyYWDQWELNWUDATC-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide (CID 71839026) is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide is Cc1ccc(N2CCC(NC(=O)C3CCCO3)C2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
The InChIKey is YWDQWELNWUDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-5-6-13(10-12(11)2)19-8-7-14(17(19)21)18-16(20)15-4-3-9-22-15/h5-6,10,14-15H,3-4,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide?
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 71839026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).