1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

C23H25N3O4 — CID 78890501

IUPAC1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESO=C1CCCN1Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)c1
InChIInChI=1S/C23H25N3O4/c27-22-9-2-10-25(22)15-19-6-1-5-18(13-19)14-24-23(28)26(16-20-7-3-11-29-20)17-21-8-4-12-30-21/h1,3-8,11-13H,2,9-10,14-17H2,(H,24,28)
InChIKeyJBGNMKDKHOFGLR-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.91
Rot. Bonds8

About 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 78890501) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
PubChem CID78890501
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
SMILESO=C1CCCN1Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)c1
InChIInChI=1S/C23H25N3O4/c27-22-9-2-10-25(22)15-19-6-1-5-18(13-19)14-24-23(28)26(16-20-7-3-11-29-20)17-21-8-4-12-30-21/h1,3-8,11-13H,2,9-10,14-17H2,(H,24,28)
InChIKeyJBGNMKDKHOFGLR-UHFFFAOYSA-N
XLogP3.91
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide
CID 103599515
2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 87004700
1,2-dimethyl-1-[(4-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111289203
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253
(2S)-2-amino-4-methylsulfanyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119285826
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111285443
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841647

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (CID 78890501) is 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is O=C1CCCN1Cc1cccc(CNC(=O)N(Cc2ccco2)Cc2ccco2)c1.
What is the InChIKey of 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is JBGNMKDKHOFGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-22-9-2-10-25(22)15-19-6-1-5-18(13-19)14-24-23(28)26(16-20-7-3-11-29-20)17-21-8-4-12-30-21/h1,3-8,11-13H,2,9-10,14-17H2,(H,24,28).
What are the key properties of 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?
1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 407.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 78890501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).