N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

C19H20N6O2 — CID 42998138

IUPACN-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C19H20N6O2/c1-2-3-12-27-18-10-4-15(5-11-18)13-20-22-19(26)16-6-8-17(9-7-16)25-14-21-23-24-25/h4-11,13-14H,2-3,12H2,1H3,(H,22,26)/b20-13+
InChIKeyGQEYYLPQJKNYRE-DEDYPNTBSA-N
MW364.41 g/mol
LogP2.61
Rot. Bonds8

About N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 42998138) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID42998138
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C19H20N6O2/c1-2-3-12-27-18-10-4-15(5-11-18)13-20-22-19(26)16-6-8-17(9-7-16)25-14-21-23-24-25/h4-11,13-14H,2-3,12H2,1H3,(H,22,26)/b20-13+
InChIKeyGQEYYLPQJKNYRE-DEDYPNTBSA-N
XLogP2.61
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4850354
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998205
methyl 4-[(E)-[[4-(tetrazol-1-yl)benzoyl]hydrazinylidene]methyl]benzoate
CID 42998177
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 8981672
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42999207
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
CID 4541932

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide (CID 42998138) is N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is CCCCOc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GQEYYLPQJKNYRE-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-2-3-12-27-18-10-4-15(5-11-18)13-20-22-19(26)16-6-8-17(9-7-16)25-14-21-23-24-25/h4-11,13-14H,2-3,12H2,1H3,(H,22,26)/b20-13+.
What are the key properties of N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42998138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).