N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C20H23N7O2 — CID 136851210

IUPACN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C20H23N7O2/c1-3-26(4-2)17-11-10-16(18(28)12-17)13-21-22-19(29)14-27-24-20(23-25-27)15-8-6-5-7-9-15/h5-13,28H,3-4,14H2,1-2H3,(H,22,29)/b21-13-
InChIKeyJHMFIERDMIHQNW-BKUYFWCQSA-N
MW393.45 g/mol
LogP2.04
Rot. Bonds8

About N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 136851210) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID136851210
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C20H23N7O2/c1-3-26(4-2)17-11-10-16(18(28)12-17)13-21-22-19(29)14-27-24-20(23-25-27)15-8-6-5-7-9-15/h5-13,28H,3-4,14H2,1-2H3,(H,22,29)/b21-13-
InChIKeyJHMFIERDMIHQNW-BKUYFWCQSA-N
XLogP2.04
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 136851210) is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is CCN(CC)c1ccc(/C=N\NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is JHMFIERDMIHQNW-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-3-26(4-2)17-11-10-16(18(28)12-17)13-21-22-19(29)14-27-24-20(23-25-27)15-8-6-5-7-9-15/h5-13,28H,3-4,14H2,1-2H3,(H,22,29)/b21-13-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 136851210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).