N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide

C17H22N2O3 — CID 54786488

IUPACN'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CC1CCCC1
InChIInChI=1S/C17H22N2O3/c1-2-11-22-15-10-6-5-9-14(15)17(21)19-18-16(20)12-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,20)(H,19,21)
InChIKeyIIWJQWUJLYSHCO-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.59
Rot. Bonds6

About N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide

N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide (PubChem CID 54786488) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
PubChem CID54786488
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccccc1C(=O)NNC(=O)CC1CCCC1
InChIInChI=1S/C17H22N2O3/c1-2-11-22-15-10-6-5-9-14(15)17(21)19-18-16(20)12-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,20)(H,19,21)
InChIKeyIIWJQWUJLYSHCO-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N'-[2-(4-methoxyphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929179
ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
CID 4929104
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
N'-(2-naphthalen-2-yloxyacetyl)-2-prop-2-enoxybenzohydrazide
CID 4929060
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929181

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide (CID 54786488) is N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide is C=CCOc1ccccc1C(=O)NNC(=O)CC1CCCC1.
What is the InChIKey of N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide?
The InChIKey is IIWJQWUJLYSHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-11-22-15-10-6-5-9-14(15)17(21)19-18-16(20)12-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide?
N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide has a molecular weight of 302.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentylacetyl)-2-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 54786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).