1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide

C22H20N2O5 — CID 46569122

IUPAC1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1
InChIInChI=1S/C22H20N2O5/c1-13-9-21(26)29-19-11-15(3-8-18(13)19)23-22(27)14-10-20(25)24(12-14)16-4-6-17(28-2)7-5-16/h3-9,11,14H,10,12H2,1-2H3,(H,23,27)
InChIKeyQILRGENBVYHQEM-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46569122) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46569122
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1
InChIInChI=1S/C22H20N2O5/c1-13-9-21(26)29-19-11-15(3-8-18(13)19)23-22(27)14-10-20(25)24(12-14)16-4-6-17(28-2)7-5-16/h3-9,11,14H,10,12H2,1-2H3,(H,23,27)
InChIKeyQILRGENBVYHQEM-UHFFFAOYSA-N
XLogP3.10
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-(4-acetamido-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46578612
(3S)-1-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004968
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
1-(4-methoxyphenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55566446
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424665
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide (CID 46569122) is 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QILRGENBVYHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-13-9-21(26)29-19-11-15(3-8-18(13)19)23-22(27)14-10-20(25)24(12-14)16-4-6-17(28-2)7-5-16/h3-9,11,14H,10,12H2,1-2H3,(H,23,27).
What are the key properties of 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46569122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).