N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide

C26H32N2O4 — CID 110231495

IUPACN-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C26H32N2O4/c1-3-27-25(30)26(14-15-28(18-26)24(29)23-9-6-16-32-23)17-19-10-12-20(13-11-19)21-7-4-5-8-22(21)31-2/h4-5,7-8,10-13,23H,3,6,9,14-18H2,1-2H3,(H,27,30)
InChIKeyGEIDYJOLHYIHPJ-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.44
Rot. Bonds7

About N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide

N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110231495) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110231495
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C26H32N2O4/c1-3-27-25(30)26(14-15-28(18-26)24(29)23-9-6-16-32-23)17-19-10-12-20(13-11-19)21-7-4-5-8-22(21)31-2/h4-5,7-8,10-13,23H,3,6,9,14-18H2,1-2H3,(H,27,30)
InChIKeyGEIDYJOLHYIHPJ-UHFFFAOYSA-N
XLogP3.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231496
1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231502
(3S)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584946
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592458
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592444
(3S)-1-(cyclopropanecarbonyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579727
N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124946896
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92573899
1-(oxolane-2-carbonyl)-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231260
(3R)-1-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579805
(3R)-1-[(2R)-oxane-2-carbonyl]-3-[(2-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579797

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide (CID 110231495) is N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)C2CCCO2)C1.
What is the InChIKey of N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is GEIDYJOLHYIHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-27-25(30)26(14-15-28(18-26)24(29)23-9-6-16-32-23)17-19-10-12-20(13-11-19)21-7-4-5-8-22(21)31-2/h4-5,7-8,10-13,23H,3,6,9,14-18H2,1-2H3,(H,27,30).
What are the key properties of N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide?
N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).