N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C24H30N2O2 — CID 3936154

IUPACN-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(Cc2ccco2)Cc2cccn2C)cc1
InChIInChI=1S/C24H30N2O2/c1-3-4-5-6-9-20-12-14-21(15-13-20)24(27)26(19-23-11-8-17-28-23)18-22-10-7-16-25(22)2/h7-8,10-17H,3-6,9,18-19H2,1-2H3
InChIKeyLGFDTNHIVODRHT-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.58
Rot. Bonds10

About N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 3936154) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID3936154
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCCCCCCc1ccc(C(=O)N(Cc2ccco2)Cc2cccn2C)cc1
InChIInChI=1S/C24H30N2O2/c1-3-4-5-6-9-20-12-14-21(15-13-20)24(27)26(19-23-11-8-17-28-23)18-22-10-7-16-25(22)2/h7-8,10-17H,3-6,9,18-19H2,1-2H3
InChIKeyLGFDTNHIVODRHT-UHFFFAOYSA-N
XLogP5.58
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.58
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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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3980417
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 42760198
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
CID 5106815
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
CID 5121435
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
4-hexyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3458486
N-butyl-2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 4018859
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 4011712
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 4550872
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4002712
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 3936154) is N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is CCCCCCc1ccc(C(=O)N(Cc2ccco2)Cc2cccn2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is LGFDTNHIVODRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-4-5-6-9-20-12-14-21(15-13-20)24(27)26(19-23-11-8-17-28-23)18-22-10-7-16-25(22)2/h7-8,10-17H,3-6,9,18-19H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 3936154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).