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

C18H22N2O2 — CID 24551435

IUPAC3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C18H22N2O2/c1-14-8-11-22-17(14)18(21)19-12-15-6-2-3-7-16(15)13-20-9-4-5-10-20/h2-3,6-8,11H,4-5,9-10,12-13H2,1H3,(H,19,21)
InChIKeyRPTCFPJNOPHAKQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds5

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

3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 24551435) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID24551435
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C18H22N2O2/c1-14-8-11-22-17(14)18(21)19-12-15-6-2-3-7-16(15)13-20-9-4-5-10-20/h2-3,6-8,11H,4-5,9-10,12-13H2,1H3,(H,19,21)
InChIKeyRPTCFPJNOPHAKQ-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-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 24551030
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
3-methyl-2-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17499796
3-methyl-N-[3-[[N'-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]propyl]furan-2-carboxamide;hydroiodide
CID 111776845
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56756653
N-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 33283616
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide (CID 24551435) is 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCc1ccccc1CN1CCCC1.
What is the InChIKey of 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is RPTCFPJNOPHAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-8-11-22-17(14)18(21)19-12-15-6-2-3-7-16(15)13-20-9-4-5-10-20/h2-3,6-8,11H,4-5,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide?
3-methyl-N-[[2-(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-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 24551435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).