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

C28H37N3O4 — CID 43020169

IUPAC1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)N(C)Cc2ccccc2N2CCOCC2)C1c1ccc(OC)cc1
InChIInChI=1S/C28H37N3O4/c1-4-5-14-31-26(32)19-24(27(31)21-10-12-23(34-3)13-11-21)28(33)29(2)20-22-8-6-7-9-25(22)30-15-17-35-18-16-30/h6-13,24,27H,4-5,14-20H2,1-3H3
InChIKeyJLPSWVLUALBDHQ-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.88
Rot. Bonds9

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

1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43020169) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43020169
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)N(C)Cc2ccccc2N2CCOCC2)C1c1ccc(OC)cc1
InChIInChI=1S/C28H37N3O4/c1-4-5-14-31-26(32)19-24(27(31)21-10-12-23(34-3)13-11-21)28(33)29(2)20-22-8-6-7-9-25(22)30-15-17-35-18-16-30/h6-13,24,27H,4-5,14-20H2,1-3H3
InChIKeyJLPSWVLUALBDHQ-UHFFFAOYSA-N
XLogP3.88
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134005728
2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 167962449
(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-2-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 43045200
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2S,3R)-1-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986245
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
1-butyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55660041
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 43020169) is 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)N(C)Cc2ccccc2N2CCOCC2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JLPSWVLUALBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-4-5-14-31-26(32)19-24(27(31)21-10-12-23(34-3)13-11-21)28(33)29(2)20-22-8-6-7-9-25(22)30-15-17-35-18-16-30/h6-13,24,27H,4-5,14-20H2,1-3H3.
What are the key properties of 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43020169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).