N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide

C25H33NO2 — CID 100672586

IUPACN-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C25H33NO2/c1-18(2)17-28-23-13-12-22(16-20(23)4)26-24(27)25(14-6-5-7-15-25)21-10-8-19(3)9-11-21/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,26,27)
InChIKeyAKYQOGLACRZUHA-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.18
Rot. Bonds6

About N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide

N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100672586) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100672586
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C25H33NO2/c1-18(2)17-28-23-13-12-22(16-20(23)4)26-24(27)25(14-6-5-7-15-25)21-10-8-19(3)9-11-21/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,26,27)
InChIKeyAKYQOGLACRZUHA-UHFFFAOYSA-N
XLogP6.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100718733
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
methyl 5-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100719723
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide (CID 100672586) is N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C)c3)CCCCC2)cc1.
What is the InChIKey of N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is AKYQOGLACRZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-18(2)17-28-23-13-12-22(16-20(23)4)26-24(27)25(14-6-5-7-15-25)21-10-8-19(3)9-11-21/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,26,27).
What are the key properties of N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 379.54 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100672586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).