4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C18H22N2O2 — CID 77086645

IUPAC4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN(CC1CCCN1C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-11-3-5-16(19)13-20(2)18(21)15-9-7-14(8-10-15)17-6-4-12-22-17/h4,6-10,12,16H,3,5,11,13H2,1-2H3
InChIKeyJQUIHTRLKUGPRP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds4

About 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 77086645) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID77086645
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN(CC1CCCN1C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-19-11-3-5-16(19)13-20(2)18(21)15-9-7-14(8-10-15)17-6-4-12-22-17/h4,6-10,12,16H,3,5,11,13H2,1-2H3
InChIKeyJQUIHTRLKUGPRP-UHFFFAOYSA-N
XLogP3.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 77086645) is 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is CN(CC1CCCN1C)C(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is JQUIHTRLKUGPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-11-3-5-16(19)13-20(2)18(21)15-9-7-14(8-10-15)17-6-4-12-22-17/h4,6-10,12,16H,3,5,11,13H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 77086645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).