1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide

C24H30N2O4 — CID 110231473

IUPAC1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCOCC(=O)N1CCC(Cc2ccc(-c3ccccc3OC)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O4/c1-25(2)23(28)24(13-14-26(17-24)22(27)16-29-3)15-18-9-11-19(12-10-18)20-7-5-6-8-21(20)30-4/h5-12H,13-17H2,1-4H3
InChIKeyJCLYBOOSQHCGEK-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.86
Rot. Bonds7

About 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide

1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 110231473) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID110231473
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCOCC(=O)N1CCC(Cc2ccc(-c3ccccc3OC)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H30N2O4/c1-25(2)23(28)24(13-14-26(17-24)22(27)16-29-3)15-18-9-11-19(12-10-18)20-7-5-6-8-21(20)30-4/h5-12H,13-17H2,1-4H3
InChIKeyJCLYBOOSQHCGEK-UHFFFAOYSA-N
XLogP2.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 124805911
3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethyl-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110231482
(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92605189
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610
(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584946
(3S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-[2-(4-methylphenyl)acetyl]pyrrolidine-3-carboxamide
CID 92557558
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231502
(3S)-1-(cyclopropanecarbonyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579727
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
1-(cyclopentanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231496

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide (CID 110231473) is 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide is COCC(=O)N1CCC(Cc2ccc(-c3ccccc3OC)cc2)(C(=O)N(C)C)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is JCLYBOOSQHCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-25(2)23(28)24(13-14-26(17-24)22(27)16-29-3)15-18-9-11-19(12-10-18)20-7-5-6-8-21(20)30-4/h5-12H,13-17H2,1-4H3.
What are the key properties of 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide?
1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110231473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).