1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C25H26N4O4 — CID 55957406

IUPAC1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CC(=O)N(Cc4ccco4)C3)c2)c1
InChIInChI=1S/C25H26N4O4/c1-17-5-2-7-20(11-17)27-25(32)28-21-8-3-6-18(12-21)14-26-24(31)19-13-23(30)29(15-19)16-22-9-4-10-33-22/h2-12,19H,13-16H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyKYZXOAJSSPOSTC-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.90
Rot. Bonds7

About 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55957406) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55957406
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CC(=O)N(Cc4ccco4)C3)c2)c1
InChIInChI=1S/C25H26N4O4/c1-17-5-2-7-20(11-17)27-25(32)28-21-8-3-6-18(12-21)14-26-24(31)19-13-23(30)29(15-19)16-22-9-4-10-33-22/h2-12,19H,13-16H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyKYZXOAJSSPOSTC-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(2R)-2-[[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 124696445
(2S)-2-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 124695977
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
[2-(3-methylanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578186
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567
(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95237254
(3S)-N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95090657
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 37053630
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 55957406) is 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CC(=O)N(Cc4ccco4)C3)c2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KYZXOAJSSPOSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-17-5-2-7-20(11-17)27-25(32)28-21-8-3-6-18(12-21)14-26-24(31)19-13-23(30)29(15-19)16-22-9-4-10-33-22/h2-12,19H,13-16H2,1H3,(H,26,31)(H2,27,28,32).
What are the key properties of 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55957406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).