1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

C26H32N2O2 — CID 110230948

IUPAC1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C26H32N2O2/c1-3-27-25(30)26(14-15-28(18-26)24(29)20-10-7-11-20)17-22-9-4-5-13-23(22)21-12-6-8-19(2)16-21/h4-6,8-9,12-13,16,20H,3,7,10-11,14-15,17-18H2,1-2H3,(H,27,30)
InChIKeyVNMOVSPLMBPCMZ-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.36
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 110230948) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID110230948
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C26H32N2O2/c1-3-27-25(30)26(14-15-28(18-26)24(29)20-10-7-11-20)17-22-9-4-5-13-23(22)21-12-6-8-19(2)16-21/h4-6,8-9,12-13,16,20H,3,7,10-11,14-15,17-18H2,1-2H3,(H,27,30)
InChIKeyVNMOVSPLMBPCMZ-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 110230949
(3R)-1-(cyclopentanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592262
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
(3R)-1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579134
(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592198
1-(cyclobutanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231947
(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592202

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 110230948) is 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is VNMOVSPLMBPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-3-27-25(30)26(14-15-28(18-26)24(29)20-10-7-11-20)17-22-9-4-5-13-23(22)21-12-6-8-19(2)16-21/h4-6,8-9,12-13,16,20H,3,7,10-11,14-15,17-18H2,1-2H3,(H,27,30).
What are the key properties of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110230948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).