1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C25H28N4O4 — CID 55454203

IUPAC1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC(c2ccccc2OC)c2nccn2C)CC1=O
InChIInChI=1S/C25H28N4O4/c1-4-33-21-12-8-6-10-19(21)29-16-17(15-22(29)30)25(31)27-23(24-26-13-14-28(24)2)18-9-5-7-11-20(18)32-3/h5-14,17,23H,4,15-16H2,1-3H3,(H,27,31)
InChIKeyKBESNKGWKJBRCU-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.09
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55454203) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55454203
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC(c2ccccc2OC)c2nccn2C)CC1=O
InChIInChI=1S/C25H28N4O4/c1-4-33-21-12-8-6-10-19(21)29-16-17(15-22(29)30)25(31)27-23(24-26-13-14-28(24)2)18-9-5-7-11-20(18)32-3/h5-14,17,23H,4,15-16H2,1-3H3,(H,27,31)
InChIKeyKBESNKGWKJBRCU-UHFFFAOYSA-N
XLogP3.09
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42923281
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42923282
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337484
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 55389602
N-[(R)-(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 95806849
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 42923292
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55454203) is 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NC(c2ccccc2OC)c2nccn2C)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KBESNKGWKJBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-33-21-12-8-6-10-19(21)29-16-17(15-22(29)30)25(31)27-23(24-26-13-14-28(24)2)18-9-5-7-11-20(18)32-3/h5-14,17,23H,4,15-16H2,1-3H3,(H,27,31).
What are the key properties of 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55454203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).