5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide

C28H34N2O2 — CID 11553756

IUPAC5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide
SMILESCc1ccccc1CC1(N(C)C)CCC(NC(=O)c2ccc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C28H34N2O2/c1-21-9-7-8-12-23(21)20-28(30(2)3)17-15-24(16-18-28)29-27(31)26-14-13-25(32-26)19-22-10-5-4-6-11-22/h4-14,24H,15-20H2,1-3H3,(H,29,31)
InChIKeyKRTLOPSBELRRGP-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.39
Rot. Bonds7

About 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide

5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide (PubChem CID 11553756) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide
PubChem CID11553756
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide
SMILESCc1ccccc1CC1(N(C)C)CCC(NC(=O)c2ccc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C28H34N2O2/c1-21-9-7-8-12-23(21)20-28(30(2)3)17-15-24(16-18-28)29-27(31)26-14-13-25(32-26)19-22-10-5-4-6-11-22/h4-14,24H,15-20H2,1-3H3,(H,29,31)
InChIKeyKRTLOPSBELRRGP-UHFFFAOYSA-N
XLogP5.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide (CID 11553756) is 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide is Cc1ccccc1CC1(N(C)C)CCC(NC(=O)c2ccc(Cc3ccccc3)o2)CC1.
What is the InChIKey of 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide?
The InChIKey is KRTLOPSBELRRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-21-9-7-8-12-23(21)20-28(30(2)3)17-15-24(16-18-28)29-27(31)26-14-13-25(32-26)19-22-10-5-4-6-11-22/h4-14,24H,15-20H2,1-3H3,(H,29,31).
What are the key properties of 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide?
5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 11553756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).