N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H30N2O4 — CID 55747807

IUPACN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-5-12-30-21-11-8-18(13-22(21)29-4)17(3)25-24(28)19-14-23(27)26(15-19)20-9-6-16(2)7-10-20/h6-11,13,17,19H,5,12,14-15H2,1-4H3,(H,25,28)
InChIKeyXEXAGMLRDJMXSW-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.02
Rot. Bonds8

About N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55747807) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55747807
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-5-12-30-21-11-8-18(13-22(21)29-4)17(3)25-24(28)19-14-23(27)26(15-19)20-9-6-16(2)7-10-20/h6-11,13,17,19H,5,12,14-15H2,1-4H3,(H,25,28)
InChIKeyXEXAGMLRDJMXSW-UHFFFAOYSA-N
XLogP4.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108788313
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112764157
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
3-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108791269
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55747807) is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCOc1ccc(C(C)NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XEXAGMLRDJMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-12-30-21-11-8-18(13-22(21)29-4)17(3)25-24(28)19-14-23(27)26(15-19)20-9-6-16(2)7-10-20/h6-11,13,17,19H,5,12,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55747807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).