1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C25H26N4O4 — CID 134050585

IUPAC1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)CC2=O)cc1
InChIInChI=1S/C25H26N4O4/c1-2-17-5-11-21(12-6-17)29-16-18(14-23(29)30)24(31)27-19-7-9-20(10-8-19)28-25(32)26-15-22-4-3-13-33-22/h3-13,18H,2,14-16H2,1H3,(H,27,31)(H2,26,28,32)
InChIKeyPHSNUMPAAKKAFE-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.16
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 134050585) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID134050585
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)CC2=O)cc1
InChIInChI=1S/C25H26N4O4/c1-2-17-5-11-21(12-6-17)29-16-18(14-23(29)30)24(31)27-19-7-9-20(10-8-19)28-25(32)26-15-22-4-3-13-33-22/h3-13,18H,2,14-16H2,1H3,(H,27,31)(H2,26,28,32)
InChIKeyPHSNUMPAAKKAFE-UHFFFAOYSA-N
XLogP4.16
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18153844
(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42905354

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 134050585) is 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PHSNUMPAAKKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-2-17-5-11-21(12-6-17)29-16-18(14-23(29)30)24(31)27-19-7-9-20(10-8-19)28-25(32)26-15-22-4-3-13-33-22/h3-13,18H,2,14-16H2,1H3,(H,27,31)(H2,26,28,32).
What are the key properties of 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134050585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).