N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide

C15H21N7O2 — CID 5456992

IUPACN-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2nn[nH]n2)c(OC)c1
InChIInChI=1S/C15H21N7O2/c1-4-22(5-2)12-7-6-11(13(8-12)24-3)10-16-19-15(23)9-14-17-20-21-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,23)(H,17,18,20,21)/b16-10-
InChIKeyIGBZJUIVZUHPBJ-YBEGLDIGSA-N
MW331.38 g/mol
LogP0.75
Rot. Bonds8

About N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide

N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 5456992) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID5456992
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)Cc2nn[nH]n2)c(OC)c1
InChIInChI=1S/C15H21N7O2/c1-4-22(5-2)12-7-6-11(13(8-12)24-3)10-16-19-15(23)9-14-17-20-21-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,23)(H,17,18,20,21)/b16-10-
InChIKeyIGBZJUIVZUHPBJ-YBEGLDIGSA-N
XLogP0.75
TPSA108.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
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-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N'-[(E)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]oxamide
CID 21214226
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 4026615
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide
CID 5426292
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]acetamide
CID 98005129
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4633755
N-[(Z)-[4-(diethylamino)-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126070953
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
(2R)-N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-3-methyl-2-[(2-thiophen-2-ylacetyl)amino]butanamide
CID 40990714

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide (CID 5456992) is N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide is CCN(CC)c1ccc(/C=N\NC(=O)Cc2nn[nH]n2)c(OC)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is IGBZJUIVZUHPBJ-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-4-22(5-2)12-7-6-11(13(8-12)24-3)10-16-19-15(23)9-14-17-20-21-18-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,23)(H,17,18,20,21)/b16-10-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 5456992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).