N'-hexanoyl-2-prop-2-enoxybenzohydrazide

C16H22N2O3 — CID 4953986

IUPACN'-hexanoyl-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CCCCC
InChIInChI=1S/C16H22N2O3/c1-3-5-6-11-15(19)17-18-16(20)13-9-7-8-10-14(13)21-12-4-2/h4,7-10H,2-3,5-6,11-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyVGMCCPVHOUQFPQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.59
Rot. Bonds8

About N'-hexanoyl-2-prop-2-enoxybenzohydrazide

N'-hexanoyl-2-prop-2-enoxybenzohydrazide (PubChem CID 4953986) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-hexanoyl-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-hexanoyl-2-prop-2-enoxybenzohydrazide
PubChem CID4953986
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-hexanoyl-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CCCCC
InChIInChI=1S/C16H22N2O3/c1-3-5-6-11-15(19)17-18-16(20)13-9-7-8-10-14(13)21-12-4-2/h4,7-10H,2-3,5-6,11-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyVGMCCPVHOUQFPQ-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.59
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'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
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
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
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821

Frequently Asked Questions

What is the IUPAC name of N'-hexanoyl-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-hexanoyl-2-prop-2-enoxybenzohydrazide (CID 4953986) is N'-hexanoyl-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-hexanoyl-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-hexanoyl-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)CCCCC.
What is the InChIKey of N'-hexanoyl-2-prop-2-enoxybenzohydrazide?
The InChIKey is VGMCCPVHOUQFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-5-6-11-15(19)17-18-16(20)13-9-7-8-10-14(13)21-12-4-2/h4,7-10H,2-3,5-6,11-12H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-hexanoyl-2-prop-2-enoxybenzohydrazide?
N'-hexanoyl-2-prop-2-enoxybenzohydrazide has a molecular weight of 290.36 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexanoyl-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4953986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).