N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide

C33H36N2O2 — CID 42750819

IUPACN-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
SMILESCc1ccccc1CN(Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)o1)C1CCCCC1
InChIInChI=1S/C33H36N2O2/c1-25-13-11-12-18-28(25)23-35(29-19-9-4-10-20-29)24-30-21-22-31(37-30)33(36)34-32(26-14-5-2-6-15-26)27-16-7-3-8-17-27/h2-3,5-8,11-18,21-22,29,32H,4,9-10,19-20,23-24H2,1H3,(H,34,36)
InChIKeyLEUBAEXBNLLHGQ-UHFFFAOYSA-N
MW492.66 g/mol
LogP7.44
Rot. Bonds9

About N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide

N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide (PubChem CID 42750819) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
PubChem CID42750819
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC NameN-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
SMILESCc1ccccc1CN(Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)o1)C1CCCCC1
InChIInChI=1S/C33H36N2O2/c1-25-13-11-12-18-28(25)23-35(29-19-9-4-10-20-29)24-30-21-22-31(37-30)33(36)34-32(26-14-5-2-6-15-26)27-16-7-3-8-17-27/h2-3,5-8,11-18,21-22,29,32H,4,9-10,19-20,23-24H2,1H3,(H,34,36)
InChIKeyLEUBAEXBNLLHGQ-UHFFFAOYSA-N
XLogP7.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42750820
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 42750810
[5-[[benzyl(cyclohexyl)amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5198933
N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207390
3-[cyclopropyl-[(2-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82327858
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3929404

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide (CID 42750819) is N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide is Cc1ccccc1CN(Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)o1)C1CCCCC1.
What is the InChIKey of N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide?
The InChIKey is LEUBAEXBNLLHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-25-13-11-12-18-28(25)23-35(29-19-9-4-10-20-29)24-30-21-22-31(37-30)33(36)34-32(26-14-5-2-6-15-26)27-16-7-3-8-17-27/h2-3,5-8,11-18,21-22,29,32H,4,9-10,19-20,23-24H2,1H3,(H,34,36).
What are the key properties of N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide?
N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide has a molecular weight of 492.66 g/mol, XLogP of 7.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 42750819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).