N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide

C22H26N6O2 — CID 56691116

IUPACN-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
SMILESCOc1ccc(-n2nnnc2C2(Nc3ccc(NC(C)=O)cc3)CCCCC2)cc1
InChIInChI=1S/C22H26N6O2/c1-16(29)23-17-6-8-18(9-7-17)24-22(14-4-3-5-15-22)21-25-26-27-28(21)19-10-12-20(30-2)13-11-19/h6-13,24H,3-5,14-15H2,1-2H3,(H,23,29)
InChIKeyXWWHNTZSTALBSI-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide

N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide (PubChem CID 56691116) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
PubChem CID56691116
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
SMILESCOc1ccc(-n2nnnc2C2(Nc3ccc(NC(C)=O)cc3)CCCCC2)cc1
InChIInChI=1S/C22H26N6O2/c1-16(29)23-17-6-8-18(9-7-17)24-22(14-4-3-5-15-22)21-25-26-27-28(21)19-10-12-20(30-2)13-11-19/h6-13,24H,3-5,14-15H2,1-2H3,(H,23,29)
InChIKeyXWWHNTZSTALBSI-UHFFFAOYSA-N
XLogP3.90
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310198
1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
CID 50812701
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
4-methoxy-N-[(1R,2S)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-2-methylcyclohexyl]aniline
CID 7393898
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
N-[1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methoxyaniline
CID 30312378
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
CID 30311076

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide (CID 56691116) is N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide is COc1ccc(-n2nnnc2C2(Nc3ccc(NC(C)=O)cc3)CCCCC2)cc1.
What is the InChIKey of N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide?
The InChIKey is XWWHNTZSTALBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16(29)23-17-6-8-18(9-7-17)24-22(14-4-3-5-15-22)21-25-26-27-28(21)19-10-12-20(30-2)13-11-19/h6-13,24H,3-5,14-15H2,1-2H3,(H,23,29).
What are the key properties of N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide?
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide is sourced from PubChem (CID 56691116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).