1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C27H35N3O4 — CID 55509640

IUPAC1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C27H35N3O4/c1-5-6-15-30-24(31)16-23(25(30)20-9-13-22(34-4)14-10-20)27(33)28-17-19-7-11-21(12-8-19)29-26(32)18(2)3/h7-14,18,23,25H,5-6,15-17H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyMODSWSNVHYGGNY-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.30
Rot. Bonds10

About 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55509640) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55509640
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C27H35N3O4/c1-5-6-15-30-24(31)16-23(25(30)20-9-13-22(34-4)14-10-20)27(33)28-17-19-7-11-21(12-8-19)29-26(32)18(2)3/h7-14,18,23,25H,5-6,15-17H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyMODSWSNVHYGGNY-UHFFFAOYSA-N
XLogP4.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18224722
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 30533551
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 42919657
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 55880454
1-butyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46415501
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 55509640) is 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MODSWSNVHYGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-5-6-15-30-24(31)16-23(25(30)20-9-13-22(34-4)14-10-20)27(33)28-17-19-7-11-21(12-8-19)29-26(32)18(2)3/h7-14,18,23,25H,5-6,15-17H2,1-4H3,(H,28,33)(H,29,32).
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55509640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).