3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide

C23H34N2O2 — CID 142236975

IUPAC3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCCCCCN1CCC(N(C(=O)C2=CC(C)CO2)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-13-24-14-11-21(12-15-24)25(20-9-7-18(2)8-10-20)23(26)22-16-19(3)17-27-22/h7-10,16,19,21H,4-6,11-15,17H2,1-3H3
InChIKeyHHBRCUBPFAPHKY-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.53
Rot. Bonds7

About 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide

3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 142236975) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide
PubChem CID142236975
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide
SMILESCCCCCN1CCC(N(C(=O)C2=CC(C)CO2)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-13-24-14-11-21(12-15-24)25(20-9-7-18(2)8-10-20)23(26)22-16-19(3)17-27-22/h7-10,16,19,21H,4-6,11-15,17H2,1-3H3
InChIKeyHHBRCUBPFAPHKY-UHFFFAOYSA-N
XLogP4.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide (CID 142236975) is 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide is CCCCCN1CCC(N(C(=O)C2=CC(C)CO2)c2ccc(C)cc2)CC1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is HHBRCUBPFAPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-5-6-13-24-14-11-21(12-15-24)25(20-9-7-18(2)8-10-20)23(26)22-16-19(3)17-27-22/h7-10,16,19,21H,4-6,11-15,17H2,1-3H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide?
3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-(1-pentylpiperidin-4-yl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 142236975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).