2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide

C20H22N6O2 — CID 8524080

IUPAC2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22N6O2/c1-14(2)28-18-11-9-16(10-12-18)15(3)21-22-19(27)13-26-24-20(23-25-26)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,27)/b21-15-
InChIKeyXAYKQWVPTFOWFR-QNGOZBTKSA-N
MW378.44 g/mol
LogP2.67
Rot. Bonds7

About 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide

2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide (PubChem CID 8524080) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
PubChem CID8524080
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22N6O2/c1-14(2)28-18-11-9-16(10-12-18)15(3)21-22-19(27)13-26-24-20(23-25-26)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,27)/b21-15-
InChIKeyXAYKQWVPTFOWFR-QNGOZBTKSA-N
XLogP2.67
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
N-[1-(furan-2-yl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3578555
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 9121106
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 679124
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 135552028
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide (CID 8524080) is 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
The InChIKey is XAYKQWVPTFOWFR-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14(2)28-18-11-9-16(10-12-18)15(3)21-22-19(27)13-26-24-20(23-25-26)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,22,27)/b21-15-.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide?
2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 8524080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).