4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide

C25H32N2O3 — CID 42680269

IUPAC4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C2CN(C(=O)Cc3ccccc3)CC2C(=O)NCCC(C)C)cc1
InChIInChI=1S/C25H32N2O3/c1-18(2)13-14-26-25(29)23-17-27(24(28)15-19-7-5-4-6-8-19)16-22(23)20-9-11-21(30-3)12-10-20/h4-12,18,22-23H,13-17H2,1-3H3,(H,26,29)
InChIKeyYEEUMBUMSIXJCJ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.64
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide

4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide (PubChem CID 42680269) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
PubChem CID42680269
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C2CN(C(=O)Cc3ccccc3)CC2C(=O)NCCC(C)C)cc1
InChIInChI=1S/C25H32N2O3/c1-18(2)13-14-26-25(29)23-17-27(24(28)15-19-7-5-4-6-8-19)16-22(23)20-9-11-21(30-3)12-10-20/h4-12,18,22-23H,13-17H2,1-3H3,(H,26,29)
InChIKeyYEEUMBUMSIXJCJ-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42825886
1-acetyl-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42680263
(3S,4R)-1-(furan-2-carbonyl)-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93148822
(3S,4R)-N-(2-methylpropyl)-1-(2-phenylacetyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149834
4-(4-methoxyphenyl)-1-propanoyl-N-propylpyrrolidine-3-carboxamide
CID 42825864
(3S,4R)-1-benzoyl-4-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93148646
(3S,4S)-4-(4-methoxyphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93148640
(3R,4R)-N-benzyl-4-(2,5-dimethoxyphenyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
CID 97479093
4-(2-methoxyphenyl)-1-(2-phenylacetyl)-N-propylpyrrolidine-3-carboxamide
CID 42681035
(3S,4R)-1-[2-(4-fluorophenyl)acetyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 16668462
4-(3-fluorophenyl)-1-(4-methoxybenzoyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42681307
1-benzoyl-N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825879

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide (CID 42680269) is 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide is COc1ccc(C2CN(C(=O)Cc3ccccc3)CC2C(=O)NCCC(C)C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide?
The InChIKey is YEEUMBUMSIXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)13-14-26-25(29)23-17-27(24(28)15-19-7-5-4-6-8-19)16-22(23)20-9-11-21(30-3)12-10-20/h4-12,18,22-23H,13-17H2,1-3H3,(H,26,29).
What are the key properties of 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide?
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).