N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H24N2O3 — CID 3153910

IUPACN-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-23-16-9-7-15(8-10-16)20-12-13(11-17(20)21)18(22)19-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyQZIUYCNGANKWHR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.50
Rot. Bonds4

About N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3153910) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3153910
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-23-16-9-7-15(8-10-16)20-12-13(11-17(20)21)18(22)19-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyQZIUYCNGANKWHR-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3153910) is N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC3CCCCC3)CC2=O)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QZIUYCNGANKWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-16-9-7-15(8-10-16)20-12-13(11-17(20)21)18(22)19-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3153910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).