1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

C23H26N2O4 — CID 46802994

IUPAC1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H26N2O4/c26-22-12-18(15-25(22)14-17-6-2-1-3-7-17)23(27)24-19-8-4-9-20(13-19)29-16-21-10-5-11-28-21/h1-4,6-9,13,18,21H,5,10-12,14-16H2,(H,24,27)
InChIKeyXTEUAJGSHAHMFV-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.23
Rot. Bonds7

About 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46802994) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID46802994
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H26N2O4/c26-22-12-18(15-25(22)14-17-6-2-1-3-7-17)23(27)24-19-8-4-9-20(13-19)29-16-21-10-5-11-28-21/h1-4,6-9,13,18,21H,5,10-12,14-16H2,(H,24,27)
InChIKeyXTEUAJGSHAHMFV-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
CID 30822278
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
(3R)-5-oxo-1-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 94032967
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43056031
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 43056004
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
1-benzyl-5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]pyrrolidine-3-carboxamide
CID 108541036
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (CID 46802994) is 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(OCC2CCCO2)c1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XTEUAJGSHAHMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22-12-18(15-25(22)14-17-6-2-1-3-7-17)23(27)24-19-8-4-9-20(13-19)29-16-21-10-5-11-28-21/h1-4,6-9,13,18,21H,5,10-12,14-16H2,(H,24,27).
What are the key properties of 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46802994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).