3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

C18H22N2O2 — CID 47026736

IUPAC3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-10-22-17(14)18(21)19-12-15-5-4-6-16(11-15)13-20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,19,21)
InChIKeyWLEGKCDVEBQWCM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds5

About 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 47026736) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID47026736
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H22N2O2/c1-14-7-10-22-17(14)18(21)19-12-15-5-4-6-16(11-15)13-20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,19,21)
InChIKeyWLEGKCDVEBQWCM-UHFFFAOYSA-N
XLogP3.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 24551435
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
3-methyl-N-[3-[[N'-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]propyl]furan-2-carboxamide;hydroiodide
CID 111776845
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide
CID 47042036
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methyl-4-nitrobenzamide
CID 60616143
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
CID 51130056
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 46971543
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
N-[2-[[3-(azepan-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 49086013
1-(5-methyl-1,2-oxazol-3-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886891

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 47026736) is 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCc1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is WLEGKCDVEBQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-10-22-17(14)18(21)19-12-15-5-4-6-16(11-15)13-20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 47026736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).