N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

C29H33NO3 — CID 100678872

IUPACN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C29H33NO3/c1-21-18-25(19-22(2)27(21)33-20-23-10-6-4-7-11-23)30-28(31)29(16-8-5-9-17-29)24-12-14-26(32-3)15-13-24/h4,6-7,10-15,18-19H,5,8-9,16-17,20H2,1-3H3,(H,30,31)
InChIKeyKWTIYZSISUDYJI-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.73
Rot. Bonds7

About N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100678872) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID100678872
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCCC2)cc1
InChIInChI=1S/C29H33NO3/c1-21-18-25(19-22(2)27(21)33-20-23-10-6-4-7-11-23)30-28(31)29(16-8-5-9-17-29)24-12-14-26(32-3)15-13-24/h4,6-7,10-15,18-19H,5,8-9,16-17,20H2,1-3H3,(H,30,31)
InChIKeyKWTIYZSISUDYJI-UHFFFAOYSA-N
XLogP6.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668870
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 100678872) is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCCC2)cc1.
What is the InChIKey of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is KWTIYZSISUDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO3/c1-21-18-25(19-22(2)27(21)33-20-23-10-6-4-7-11-23)30-28(31)29(16-8-5-9-17-29)24-12-14-26(32-3)15-13-24/h4,6-7,10-15,18-19H,5,8-9,16-17,20H2,1-3H3,(H,30,31).
What are the key properties of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100678872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).