prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate

C17H25NO5 — CID 54771415

IUPACprop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate
SMILESC=CCOC(=O)CNC(=O)C1(OC(C)=O)CCCC(CC=C)C1
InChIInChI=1S/C17H25NO5/c1-4-7-14-8-6-9-17(11-14,23-13(3)19)16(21)18-12-15(20)22-10-5-2/h4-5,14H,1-2,6-12H2,3H3,(H,18,21)
InChIKeyGIEYIVWPHNIFHJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.90
Rot. Bonds8

About prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate

prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate (PubChem CID 54771415) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate
PubChem CID54771415
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nameprop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate
SMILESC=CCOC(=O)CNC(=O)C1(OC(C)=O)CCCC(CC=C)C1
InChIInChI=1S/C17H25NO5/c1-4-7-14-8-6-9-17(11-14,23-13(3)19)16(21)18-12-15(20)22-10-5-2/h4-5,14H,1-2,6-12H2,3H3,(H,18,21)
InChIKeyGIEYIVWPHNIFHJ-UHFFFAOYSA-N
XLogP1.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-[(2-Methoxy-2-oxoethyl)amino]-2,3-dioxopropyl]cyclohexyl]methyl prop-2-enoate
CID 160489214
Tert-butyl 2-[(3-prop-2-enoxycyclohexanecarbonyl)amino]acetate
CID 164008985
[1-[(2-Oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate
CID 54771416
[1-[(2-Ethoxy-2-oxoethyl)amino]-3-(4-methylcyclohex-3-en-1-yl)-1-oxobutan-2-yl] prop-2-enoate
CID 132518525

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate?
The IUPAC name of prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate (CID 54771415) is prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate?
The canonical SMILES for prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate is C=CCOC(=O)CNC(=O)C1(OC(C)=O)CCCC(CC=C)C1.
What is the InChIKey of prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate?
The InChIKey is GIEYIVWPHNIFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-4-7-14-8-6-9-17(11-14,23-13(3)19)16(21)18-12-15(20)22-10-5-2/h4-5,14H,1-2,6-12H2,3H3,(H,18,21).
What are the key properties of prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate?
prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate has a molecular weight of 323.39 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 54771415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).