1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide

C24H31NO2 — CID 100672535

IUPAC1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C24H31NO2/c1-17(2)27-22-13-12-21(16-19(22)4)25-23(26)24(14-6-5-7-15-24)20-10-8-18(3)9-11-20/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,25,26)
InChIKeyVOSJAKWAUOSQFJ-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.93
Rot. Bonds5

About 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide

1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100672535) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
PubChem CID100672535
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C24H31NO2/c1-17(2)27-22-13-12-21(16-19(22)4)25-23(26)24(14-6-5-7-15-24)20-10-8-18(3)9-11-20/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,25,26)
InChIKeyVOSJAKWAUOSQFJ-UHFFFAOYSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100745624
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide (CID 100672535) is 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C)c3)CCCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is VOSJAKWAUOSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17(2)27-22-13-12-21(16-19(22)4)25-23(26)24(14-6-5-7-15-24)20-10-8-18(3)9-11-20/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,25,26).
What are the key properties of 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide?
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100672535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).