2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide

C19H22N2O3 — CID 86981622

IUPAC2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-13-9-17(14(2)24-13)19(23)20-11-15-5-3-6-16(10-15)12-21-8-4-7-18(21)22/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyYEHUYHINDLBJTQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.95
Rot. Bonds5

About 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide

2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide (PubChem CID 86981622) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
PubChem CID86981622
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-13-9-17(14(2)24-13)19(23)20-11-15-5-3-6-16(10-15)12-21-8-4-7-18(21)22/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyYEHUYHINDLBJTQ-UHFFFAOYSA-N
XLogP2.95
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
CID 55407334
5-amino-2-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 120621582
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 112841648
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 109429728
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253
1,1-bis(furan-2-ylmethyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890501
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 60583834
5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841647
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
trans-(1R,2R)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131992

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide (CID 86981622) is 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
The InChIKey is YEHUYHINDLBJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-17(14(2)24-13)19(23)20-11-15-5-3-6-16(10-15)12-21-8-4-7-18(21)22/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 86981622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).