3-(azidomethyl)-N'-hexanoylbenzohydrazide

C14H19N5O2 — CID 150083368

IUPAC3-(azidomethyl)-N'-hexanoylbenzohydrazide
SMILESCCCCCC(=O)NNC(=O)c1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C14H19N5O2/c1-2-3-4-8-13(20)17-18-14(21)12-7-5-6-11(9-12)10-16-19-15/h5-7,9H,2-4,8,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyDRSMCUWGSSKZLN-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.84
Rot. Bonds7

About 3-(azidomethyl)-N'-hexanoylbenzohydrazide

3-(azidomethyl)-N'-hexanoylbenzohydrazide (PubChem CID 150083368) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(azidomethyl)-N'-hexanoylbenzohydrazide.

Molecular Properties

Compound Name3-(azidomethyl)-N'-hexanoylbenzohydrazide
PubChem CID150083368
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(azidomethyl)-N'-hexanoylbenzohydrazide
SMILESCCCCCC(=O)NNC(=O)c1cccc(CN=[N+]=[N-])c1
InChIInChI=1S/C14H19N5O2/c1-2-3-4-8-13(20)17-18-14(21)12-7-5-6-11(9-12)10-16-19-15/h5-7,9H,2-4,8,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyDRSMCUWGSSKZLN-UHFFFAOYSA-N
XLogP2.84
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
3-(azidomethyl)benzamide
CID 61374948
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-N'-hexanoylbenzohydrazide?
The IUPAC name of 3-(azidomethyl)-N'-hexanoylbenzohydrazide (CID 150083368) is 3-(azidomethyl)-N'-hexanoylbenzohydrazide.
What is the SMILES notation for 3-(azidomethyl)-N'-hexanoylbenzohydrazide?
The canonical SMILES for 3-(azidomethyl)-N'-hexanoylbenzohydrazide is CCCCCC(=O)NNC(=O)c1cccc(CN=[N+]=[N-])c1.
What is the InChIKey of 3-(azidomethyl)-N'-hexanoylbenzohydrazide?
The InChIKey is DRSMCUWGSSKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-3-4-8-13(20)17-18-14(21)12-7-5-6-11(9-12)10-16-19-15/h5-7,9H,2-4,8,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 3-(azidomethyl)-N'-hexanoylbenzohydrazide?
3-(azidomethyl)-N'-hexanoylbenzohydrazide has a molecular weight of 289.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-N'-hexanoylbenzohydrazide is sourced from PubChem (CID 150083368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).