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

C28H31NO2 — CID 100669967

IUPACN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3)CCCCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C28H31NO2/c1-21-18-25(19-22(2)26(21)31-20-23-12-6-3-7-13-23)29-27(30)28(16-10-5-11-17-28)24-14-8-4-9-15-24/h3-4,6-9,12-15,18-19H,5,10-11,16-17,20H2,1-2H3,(H,29,30)
InChIKeyQQDGNRQPIPSYNU-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.72
Rot. Bonds6

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

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide (PubChem CID 100669967) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
PubChem CID100669967
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3)CCCCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C28H31NO2/c1-21-18-25(19-22(2)26(21)31-20-23-12-6-3-7-13-23)29-27(30)28(16-10-5-11-17-28)24-14-8-4-9-15-24/h3-4,6-9,12-15,18-19H,5,10-11,16-17,20H2,1-2H3,(H,29,30)
InChIKeyQQDGNRQPIPSYNU-UHFFFAOYSA-N
XLogP6.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100678872
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
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-(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
N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
CID 100770531
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
trans-(1S,3R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707497
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-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide (CID 100669967) is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccccc3)CCCCC2)cc(C)c1OCc1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
The InChIKey is QQDGNRQPIPSYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-21-18-25(19-22(2)26(21)31-20-23-12-6-3-7-13-23)29-27(30)28(16-10-5-11-17-28)24-14-8-4-9-15-24/h3-4,6-9,12-15,18-19H,5,10-11,16-17,20H2,1-2H3,(H,29,30).
What are the key properties of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 6.72, 6 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-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 100669967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).