N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide

C18H18N2O4 — CID 42889996

IUPACN-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C18H18N2O4/c1-23-15-4-2-3-5-16(15)24-13-8-6-12(7-9-13)19-18(22)14-10-11-17(21)20-14/h2-9,14H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyLCUCGULZXTYCEK-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.70
Rot. Bonds5

About N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 42889996) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID42889996
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C18H18N2O4/c1-23-15-4-2-3-5-16(15)24-13-8-6-12(7-9-13)19-18(22)14-10-11-17(21)20-14/h2-9,14H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyLCUCGULZXTYCEK-UHFFFAOYSA-N
XLogP2.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697295
(2R)-N-[[2-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95346618
(2R)-5-oxo-N-[(1R)-1-(2-phenoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95324386
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide (CID 42889996) is N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1Oc1ccc(NC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LCUCGULZXTYCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-4-2-3-5-16(15)24-13-8-6-12(7-9-13)19-18(22)14-10-11-17(21)20-14/h2-9,14H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 42889996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).