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

C17H16N6O3 — CID 3688564

IUPACN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C17H16N6O3/c1-26-15-9-12(7-8-14(15)24)10-18-19-16(25)11-23-21-17(20-22-23)13-5-3-2-4-6-13/h2-10,24H,11H2,1H3,(H,19,25)
InChIKeyBWYWEQMOKWITQP-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.20
Rot. Bonds6

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

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 3688564) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID3688564
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C17H16N6O3/c1-26-15-9-12(7-8-14(15)24)10-18-19-16(25)11-23-21-17(20-22-23)13-5-3-2-4-6-13/h2-10,24H,11H2,1H3,(H,19,25)
InChIKeyBWYWEQMOKWITQP-UHFFFAOYSA-N
XLogP1.20
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524149
[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-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5435384
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)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5235899
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 137101711
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
2-(5-aminotetrazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 948256

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 3688564) is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is BWYWEQMOKWITQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-26-15-9-12(7-8-14(15)24)10-18-19-16(25)11-23-21-17(20-22-23)13-5-3-2-4-6-13/h2-10,24H,11H2,1H3,(H,19,25).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 352.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 3688564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).