1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H24N2O5 — CID 46586094

IUPAC1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)Nc3cc(C)ccc3OC)CC2=O)c1
InChIInChI=1S/C21H24N2O5/c1-13-5-7-18(27-3)16(9-13)22-21(25)14-10-20(24)23(12-14)17-11-15(26-2)6-8-19(17)28-4/h5-9,11,14H,10,12H2,1-4H3,(H,22,25)
InChIKeyRVVHEWXECBXHLH-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.01
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46586094) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46586094
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)Nc3cc(C)ccc3OC)CC2=O)c1
InChIInChI=1S/C21H24N2O5/c1-13-5-7-18(27-3)16(9-13)22-21(25)14-10-20(24)23(12-14)17-11-15(26-2)6-8-19(17)28-4/h5-9,11,14H,10,12H2,1-4H3,(H,22,25)
InChIKeyRVVHEWXECBXHLH-UHFFFAOYSA-N
XLogP3.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
1-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191304
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
1-(3-chloro-2-methylphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187532
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
(3R)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 9396685
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoic acid
CID 108801215
1-(2,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55575698

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46586094) is 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)Nc3cc(C)ccc3OC)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RVVHEWXECBXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-5-7-18(27-3)16(9-13)22-21(25)14-10-20(24)23(12-14)17-11-15(26-2)6-8-19(17)28-4/h5-9,11,14H,10,12H2,1-4H3,(H,22,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46586094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).