N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

C25H33NO3 — CID 133187939

IUPACN-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C
InChIInChI=1S/C25H33NO3/c1-5-19(3)29-23-14-11-21(17-18(23)2)26-24(27)25(15-7-6-8-16-25)20-9-12-22(28-4)13-10-20/h9-14,17,19H,5-8,15-16H2,1-4H3,(H,26,27)
InChIKeyYNEDIXSHPWCCDU-UHFFFAOYSA-N
MW395.54 g/mol
LogP6.02
Rot. Bonds7

About N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 133187939) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID133187939
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC NameN-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C
InChIInChI=1S/C25H33NO3/c1-5-19(3)29-23-14-11-21(17-18(23)2)26-24(27)25(15-7-6-8-16-25)20-9-12-22(28-4)13-10-20/h9-14,17,19H,5-8,15-16H2,1-4H3,(H,26,27)
InChIKeyYNEDIXSHPWCCDU-UHFFFAOYSA-N
XLogP6.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2R)-butan-2-yl]oxy-5-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100747453
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
CID 100750107
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100746593
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 133246498
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 133187939) is N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is CCC(C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C.
What is the InChIKey of N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is YNEDIXSHPWCCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-5-19(3)29-23-14-11-21(17-18(23)2)26-24(27)25(15-7-6-8-16-25)20-9-12-22(28-4)13-10-20/h9-14,17,19H,5-8,15-16H2,1-4H3,(H,26,27).
What are the key properties of N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 395.54 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 133187939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).