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

C28H34N2O2 — CID 11633375

IUPAC5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide
SMILESCN(C)C1(CCc2ccccc2)CCC(NC(=O)c2ccc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C28H34N2O2/c1-30(2)28(18-15-22-9-5-3-6-10-22)19-16-24(17-20-28)29-27(31)26-14-13-25(32-26)21-23-11-7-4-8-12-23/h3-14,24H,15-21H2,1-2H3,(H,29,31)
InChIKeyHBJIBJNXXQBVKX-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.48
Rot. Bonds8

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

5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide (PubChem CID 11633375) 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-phenylethyl)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide
PubChem CID11633375
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide
SMILESCN(C)C1(CCc2ccccc2)CCC(NC(=O)c2ccc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C28H34N2O2/c1-30(2)28(18-15-22-9-5-3-6-10-22)19-16-24(17-20-28)29-27(31)26-14-13-25(32-26)21-23-11-7-4-8-12-23/h3-14,24H,15-21H2,1-2H3,(H,29,31)
InChIKeyHBJIBJNXXQBVKX-UHFFFAOYSA-N
XLogP5.48
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate
CID 91004116
5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide
CID 11553756
3-(2,6-dichlorophenyl)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 11613019
N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]-2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetamide
CID 66651436
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
4-benzyl-N-cyclopropylbenzamide
CID 45086871
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
[4-benzyl-1-carbamoyl-4-(dimethylamino)cyclohexyl] 5-benzylfuran-2-carboxylate
CID 91388121
5-benzyl-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21046295
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10157070

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide (CID 11633375) is 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide is CN(C)C1(CCc2ccccc2)CCC(NC(=O)c2ccc(Cc3ccccc3)o2)CC1.
What is the InChIKey of 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide?
The InChIKey is HBJIBJNXXQBVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-30(2)28(18-15-22-9-5-3-6-10-22)19-16-24(17-20-28)29-27(31)26-14-13-25(32-26)21-23-11-7-4-8-12-23/h3-14,24H,15-21H2,1-2H3,(H,29,31).
What are the key properties of 5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide?
5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 5.48, 8 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-phenylethyl)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 11633375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).