4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine

C28H32N6O — CID 155133610

IUPAC4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cc3)cc2C)c(-c2nn[nH]n2)c1
InChIInChI=1S/C28H32N6O/c1-19-17-23(34(2)22-11-9-21(10-12-22)20-7-5-4-6-8-20)13-15-26(19)29-27-16-14-24(35-3)18-25(27)28-30-32-33-31-28/h9-18,20,29H,4-8H2,1-3H3,(H,30,31,32,33)
InChIKeyCHXXHMHNRZLRPV-UHFFFAOYSA-N
MW468.61 g/mol
LogP6.74
Rot. Bonds7

About 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine

4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine (PubChem CID 155133610) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine
PubChem CID155133610
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cc3)cc2C)c(-c2nn[nH]n2)c1
InChIInChI=1S/C28H32N6O/c1-19-17-23(34(2)22-11-9-21(10-12-22)20-7-5-4-6-8-20)13-15-26(19)29-27-16-14-24(35-3)18-25(27)28-30-32-33-31-28/h9-18,20,29H,4-8H2,1-3H3,(H,30,31,32,33)
InChIKeyCHXXHMHNRZLRPV-UHFFFAOYSA-N
XLogP6.74
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine with MolForge

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Related Compounds

2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide
CID 155133612
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
4-cyclohexyl-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7940687
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
methyl 2-[4-[4-(4,4-difluorocyclohexyl)-N-methylanilino]anilino]-5-methoxybenzoate
CID 155134605
2-[4-[4-(4,4-difluorocyclohexyl)-N-methylanilino]anilino]-5-methoxybenzoic acid
CID 155133542
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
5-methoxy-2-[2-methyl-4-[N-methyl-4-(trifluoromethoxy)anilino]anilino]benzoic acid
CID 155134478
7-cyclohexyl-6-[3-(3-methoxyphenoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15957975

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine (CID 155133610) is 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine is COc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cc3)cc2C)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is CHXXHMHNRZLRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-19-17-23(34(2)22-11-9-21(10-12-22)20-7-5-4-6-8-20)13-15-26(19)29-27-16-14-24(35-3)18-25(27)28-30-32-33-31-28/h9-18,20,29H,4-8H2,1-3H3,(H,30,31,32,33).
What are the key properties of 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine?
4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 468.61 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyclohexylphenyl)-1-N-[4-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 155133610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).