2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C23H27N7O2 — CID 135721486

IUPAC2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(C)c1-n1nnnc1C1(NCC(=O)N/N=C/c2ccc(O)cc2)CCCC1
InChIInChI=1S/C23H27N7O2/c1-16-6-5-7-17(2)21(16)30-22(27-28-29-30)23(12-3-4-13-23)24-15-20(32)26-25-14-18-8-10-19(31)11-9-18/h5-11,14,24,31H,3-4,12-13,15H2,1-2H3,(H,26,32)/b25-14+
InChIKeySYJPLUPFETXPDA-AFUMVMLFSA-N
MW433.52 g/mol
LogP2.49
Rot. Bonds7

About 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135721486) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135721486
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(C)c1-n1nnnc1C1(NCC(=O)N/N=C/c2ccc(O)cc2)CCCC1
InChIInChI=1S/C23H27N7O2/c1-16-6-5-7-17(2)21(16)30-22(27-28-29-30)23(12-3-4-13-23)24-15-20(32)26-25-14-18-8-10-19(31)11-9-18/h5-11,14,24,31H,3-4,12-13,15H2,1-2H3,(H,26,32)/b25-14+
InChIKeySYJPLUPFETXPDA-AFUMVMLFSA-N
XLogP2.49
TPSA117.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
CID 171981918
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 53297705
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
CID 8022850
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 3912904
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentan-1-amine
CID 3378751
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 5024736
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135721486) is 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is Cc1cccc(C)c1-n1nnnc1C1(NCC(=O)N/N=C/c2ccc(O)cc2)CCCC1.
What is the InChIKey of 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SYJPLUPFETXPDA-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-16-6-5-7-17(2)21(16)30-22(27-28-29-30)23(12-3-4-13-23)24-15-20(32)26-25-14-18-8-10-19(31)11-9-18/h5-11,14,24,31H,3-4,12-13,15H2,1-2H3,(H,26,32)/b25-14+.
What are the key properties of 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 433.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135721486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).