propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate

C19H27N3O5 — CID 4927767

IUPACpropyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O5/c1-2-12-26-18(24)14-8-10-16(11-9-14)27-13-17(23)21-22-19(25)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyRWHPZTWOWRGEJX-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.30
Rot. Bonds7

About propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4927767) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4927767
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namepropyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H27N3O5/c1-2-12-26-18(24)14-8-10-16(11-9-14)27-13-17(23)21-22-19(25)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyRWHPZTWOWRGEJX-UHFFFAOYSA-N
XLogP2.30
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
propyl 4-[2-oxo-2-[2-[4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarbonyl]hydrazinyl]ethoxy]benzoate
CID 4928350
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
CID 1294961
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927665
propyl 4-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927799
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-4-propoxybenzamide
CID 4938429
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
butyl 4-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzoate
CID 26507517

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate (CID 4927767) is propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is RWHPZTWOWRGEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-2-12-26-18(24)14-8-10-16(11-9-14)27-13-17(23)21-22-19(25)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 377.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4927767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).