N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide

C20H23NO2 — CID 123540454

IUPACN-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide
SMILESCC=C(C)C=C(C)CN(C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C20H23NO2/c1-5-15(2)13-16(3)14-21(4)20(22)18-10-8-17(9-11-18)19-7-6-12-23-19/h5-13H,14H2,1-4H3
InChIKeyNIUYVNUUMUHJCR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.93
Rot. Bonds5

About N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide

N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide (PubChem CID 123540454) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide
PubChem CID123540454
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide
SMILESCC=C(C)C=C(C)CN(C)C(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C20H23NO2/c1-5-15(2)13-16(3)14-21(4)20(22)18-10-8-17(9-11-18)19-7-6-12-23-19/h5-13H,14H2,1-4H3
InChIKeyNIUYVNUUMUHJCR-UHFFFAOYSA-N
XLogP4.93
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 121269426
N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
CID 121269393
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
CID 131904939
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2-methylhex-2-enoic acid
CID 121269406
4-(furan-2-yl)benzoyl chloride
CID 7537504
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
CID 23005243
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide?
The IUPAC name of N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide (CID 123540454) is N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide?
The canonical SMILES for N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide is CC=C(C)C=C(C)CN(C)C(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide?
The InChIKey is NIUYVNUUMUHJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-5-15(2)13-16(3)14-21(4)20(22)18-10-8-17(9-11-18)19-7-6-12-23-19/h5-13H,14H2,1-4H3.
What are the key properties of N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide?
N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 123540454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).