N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H27N3O4 — CID 112758677

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCC(c2ccco2)N2CCCC2)CC1=O
InChIInChI=1S/C22H27N3O4/c1-28-19-8-3-2-7-17(19)25-15-16(13-21(25)26)22(27)23-14-18(20-9-6-12-29-20)24-10-4-5-11-24/h2-3,6-9,12,16,18H,4-5,10-11,13-15H2,1H3,(H,23,27)
InChIKeyLOCLOLGUSLIEQS-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 112758677) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID112758677
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCC(c2ccco2)N2CCCC2)CC1=O
InChIInChI=1S/C22H27N3O4/c1-28-19-8-3-2-7-17(19)25-15-16(13-21(25)26)22(27)23-14-18(20-9-6-12-29-20)24-10-4-5-11-24/h2-3,6-9,12,16,18H,4-5,10-11,13-15H2,1H3,(H,23,27)
InChIKeyLOCLOLGUSLIEQS-UHFFFAOYSA-N
XLogP2.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573087
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17401751
1-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55332959
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71898014
1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55559888
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 112758677) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCC(c2ccco2)N2CCCC2)CC1=O.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LOCLOLGUSLIEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-8-3-2-7-17(19)25-15-16(13-21(25)26)22(27)23-14-18(20-9-6-12-29-20)24-10-4-5-11-24/h2-3,6-9,12,16,18H,4-5,10-11,13-15H2,1H3,(H,23,27).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112758677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).