N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide

C24H27NO2 — CID 4518534

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H27NO2/c1-2-3-5-9-20-13-15-22(16-14-20)24(26)25(19-23-12-8-17-27-23)18-21-10-6-4-7-11-21/h4,6-8,10-17H,2-3,5,9,18-19H2,1H3
InChIKeySHMLCHITAALYTE-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.85
Rot. Bonds9

About N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide

N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide (PubChem CID 4518534) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
PubChem CID4518534
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C24H27NO2/c1-2-3-5-9-20-13-15-22(16-14-20)24(26)25(19-23-12-8-17-27-23)18-21-10-6-4-7-11-21/h4,6-8,10-17H,2-3,5,9,18-19H2,1H3
InChIKeySHMLCHITAALYTE-UHFFFAOYSA-N
XLogP5.85
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 4550872
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
CID 3690061
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60567345
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3980417

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide (CID 4518534) is N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide?
The InChIKey is SHMLCHITAALYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-3-5-9-20-13-15-22(16-14-20)24(26)25(19-23-12-8-17-27-23)18-21-10-6-4-7-11-21/h4,6-8,10-17H,2-3,5,9,18-19H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide?
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide is sourced from PubChem (CID 4518534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).