1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C18H18N2O3 — CID 168696853

IUPAC1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1Oc1ccc(N2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-12-4-2-3-5-16(12)23-15-8-6-14(7-9-15)20-11-13(18(19)22)10-17(20)21/h2-9,13H,10-11H2,1H3,(H2,19,22)
InChIKeyXIWXBDCOPDORBH-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.63
Rot. Bonds4

About 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696853) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696853
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1Oc1ccc(N2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-12-4-2-3-5-16(12)23-15-8-6-14(7-9-15)20-11-13(18(19)22)10-17(20)21/h2-9,13H,10-11H2,1H3,(H2,19,22)
InChIKeyXIWXBDCOPDORBH-UHFFFAOYSA-N
XLogP2.63
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
(3S)-1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 7220291
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
(3S)-N-[4-(2,3-dimethylphenoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004422
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
[2-(3-methoxyphenyl)-2-oxoethyl] 1-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 11837806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168696853) is 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1Oc1ccc(N2CC(C(N)=O)CC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XIWXBDCOPDORBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-4-2-3-5-16(12)23-15-8-6-14(7-9-15)20-11-13(18(19)22)10-17(20)21/h2-9,13H,10-11H2,1H3,(H2,19,22).
What are the key properties of 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).