N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide

C27H29NO2 — CID 141361960

IUPACN-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H29NO2/c1-19-24(22-11-7-4-8-12-22)17-18-25(30-2)26(19)27(29)28-23-15-13-21(14-16-23)20-9-5-3-6-10-20/h4,7-8,11-18,20H,3,5-6,9-10H2,1-2H3,(H,28,29)
InChIKeyROSVRFPKYLAFTM-UHFFFAOYSA-N
MW399.53 g/mol
LogP6.97
Rot. Bonds5

About N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide

N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide (PubChem CID 141361960) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide
PubChem CID141361960
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC NameN-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H29NO2/c1-19-24(22-11-7-4-8-12-22)17-18-25(30-2)26(19)27(29)28-23-15-13-21(14-16-23)20-9-5-3-6-10-20/h4,7-8,11-18,20H,3,5-6,9-10H2,1-2H3,(H,28,29)
InChIKeyROSVRFPKYLAFTM-UHFFFAOYSA-N
XLogP6.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide?
The IUPAC name of N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide (CID 141361960) is N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide is COc1ccc(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide?
The InChIKey is ROSVRFPKYLAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-19-24(22-11-7-4-8-12-22)17-18-25(30-2)26(19)27(29)28-23-15-13-21(14-16-23)20-9-5-3-6-10-20/h4,7-8,11-18,20H,3,5-6,9-10H2,1-2H3,(H,28,29).
What are the key properties of N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide?
N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide has a molecular weight of 399.53 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-6-methoxy-2-methyl-3-phenylbenzamide is sourced from PubChem (CID 141361960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).