5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide

C28H33NO4 — CID 21046240

IUPAC5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(Cc3cc(C4CCCCC4)ccc3C)o2)c(OC)c1
InChIInChI=1S/C28H33NO4/c1-18-10-11-21(20-8-6-5-7-9-20)15-22(18)16-23-12-13-25(33-23)28(30)29-27-19(2)14-24(31-3)17-26(27)32-4/h10-15,17,20H,5-9,16H2,1-4H3,(H,29,30)
InChIKeyXTEKSOBFAMSAOB-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.80
Rot. Bonds7

About 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide

5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide (PubChem CID 21046240) has the molecular formula C28H33NO4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide
PubChem CID21046240
Molecular FormulaC28H33NO4
Molecular Weight447.58 g/mol
Exact Mass447.24
IUPAC Name5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(Cc3cc(C4CCCCC4)ccc3C)o2)c(OC)c1
InChIInChI=1S/C28H33NO4/c1-18-10-11-21(20-8-6-5-7-9-20)15-22(18)16-23-12-13-25(33-23)28(30)29-27-19(2)14-24(31-3)17-26(27)32-4/h10-15,17,20H,5-9,16H2,1-4H3,(H,29,30)
InChIKeyXTEKSOBFAMSAOB-UHFFFAOYSA-N
XLogP6.80
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
N-[4-(2-fluoroethoxy)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)methyl]furan-2-carboxamide
CID 118911988
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
5-(3-piperidin-4-ylphenoxy)-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 10182522
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
N-(3,5-dimethoxy-2,6-dinitrophenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047595
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide (CID 21046240) is 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide is COc1cc(C)c(NC(=O)c2ccc(Cc3cc(C4CCCCC4)ccc3C)o2)c(OC)c1.
What is the InChIKey of 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide?
The InChIKey is XTEKSOBFAMSAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4/c1-18-10-11-21(20-8-6-5-7-9-20)15-22(18)16-23-12-13-25(33-23)28(30)29-27-19(2)14-24(31-3)17-26(27)32-4/h10-15,17,20H,5-9,16H2,1-4H3,(H,29,30).
What are the key properties of 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide?
5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclohexyl-2-methylphenyl)methyl]-N-(2,4-dimethoxy-6-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 21046240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).