N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C19H20N6O3 — CID 8524149

IUPACN-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC
InChIInChI=1S/C19H20N6O3/c1-3-28-17-11-14(9-10-16(17)27-2)12-20-21-18(26)13-25-23-19(22-24-25)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,26)/b20-12-
InChIKeyDZTSGKCYWBAMTO-NDENLUEZSA-N
MW380.41 g/mol
LogP1.90
Rot. Bonds8

About N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 8524149) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID8524149
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC
InChIInChI=1S/C19H20N6O3/c1-3-28-17-11-14(9-10-16(17)27-2)12-20-21-18(26)13-25-23-19(22-24-25)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,26)/b20-12-
InChIKeyDZTSGKCYWBAMTO-NDENLUEZSA-N
XLogP1.90
TPSA103.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3688564
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5435384
[2-ethoxy-4-[(Z)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6148189
[2-methoxy-4-[(E)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 171985576
[2-methoxy-4-[[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 4599529
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 5190942
2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 948256
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 8524149) is N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is CCOc1cc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is DZTSGKCYWBAMTO-NDENLUEZSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-3-28-17-11-14(9-10-16(17)27-2)12-20-21-18(26)13-25-23-19(22-24-25)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,21,26)/b20-12-.
What are the key properties of N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 380.41 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 8524149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).