N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

C25H33NO2 — CID 100671854

IUPACN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3cc(C)c(OC(C)C)c(C)c3)CCCCC2)c1
InChIInChI=1S/C25H33NO2/c1-17(2)28-23-19(4)15-22(16-20(23)5)26-24(27)25(12-7-6-8-13-25)21-11-9-10-18(3)14-21/h9-11,14-17H,6-8,12-13H2,1-5H3,(H,26,27)
InChIKeyDNWORGUGUGBPTH-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.24
Rot. Bonds5

About N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide

N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100671854) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100671854
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3cc(C)c(OC(C)C)c(C)c3)CCCCC2)c1
InChIInChI=1S/C25H33NO2/c1-17(2)28-23-19(4)15-22(16-20(23)5)26-24(27)25(12-7-6-8-13-25)21-11-9-10-18(3)14-21/h9-11,14-17H,6-8,12-13H2,1-5H3,(H,26,27)
InChIKeyDNWORGUGUGBPTH-UHFFFAOYSA-N
XLogP6.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674689
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674701
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide (CID 100671854) is N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is Cc1cccc(C2(C(=O)Nc3cc(C)c(OC(C)C)c(C)c3)CCCCC2)c1.
What is the InChIKey of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is DNWORGUGUGBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17(2)28-23-19(4)15-22(16-20(23)5)26-24(27)25(12-7-6-8-13-25)21-11-9-10-18(3)14-21/h9-11,14-17H,6-8,12-13H2,1-5H3,(H,26,27).
What are the key properties of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide?
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 379.54 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100671854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).