N'-heptanoyl-2-prop-2-enoxybenzohydrazide

C17H24N2O3 — CID 54789258

IUPACN'-heptanoyl-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CCCCCC
InChIInChI=1S/C17H24N2O3/c1-3-5-6-7-12-16(20)18-19-17(21)14-10-8-9-11-15(14)22-13-4-2/h4,8-11H,2-3,5-7,12-13H2,1H3,(H,18,20)(H,19,21)
InChIKeyVYSWMXKRDMACGD-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.98
Rot. Bonds9

About N'-heptanoyl-2-prop-2-enoxybenzohydrazide

N'-heptanoyl-2-prop-2-enoxybenzohydrazide (PubChem CID 54789258) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-heptanoyl-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-heptanoyl-2-prop-2-enoxybenzohydrazide
PubChem CID54789258
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-heptanoyl-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CCCCCC
InChIInChI=1S/C17H24N2O3/c1-3-5-6-7-12-16(20)18-19-17(21)14-10-8-9-11-15(14)22-13-4-2/h4,8-11H,2-3,5-7,12-13H2,1H3,(H,18,20)(H,19,21)
InChIKeyVYSWMXKRDMACGD-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
CID 4929104
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
tert-butyl N-[(2-prop-2-enoxybenzoyl)amino]carbamate
CID 137320522
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
CID 54786488

Frequently Asked Questions

What is the IUPAC name of N'-heptanoyl-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-heptanoyl-2-prop-2-enoxybenzohydrazide (CID 54789258) is N'-heptanoyl-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-heptanoyl-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-heptanoyl-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)CCCCCC.
What is the InChIKey of N'-heptanoyl-2-prop-2-enoxybenzohydrazide?
The InChIKey is VYSWMXKRDMACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-5-6-7-12-16(20)18-19-17(21)14-10-8-9-11-15(14)22-13-4-2/h4,8-11H,2-3,5-7,12-13H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-heptanoyl-2-prop-2-enoxybenzohydrazide?
N'-heptanoyl-2-prop-2-enoxybenzohydrazide has a molecular weight of 304.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptanoyl-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 54789258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).