[1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate

C18H27NO5 — CID 54771416

IUPAC[1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate
SMILESC=CCOC(=O)CNC(=O)C1(OC(=O)CC)CCCC(CC=C)C1
InChIInChI=1S/C18H27NO5/c1-4-8-14-9-7-10-18(12-14,24-15(20)6-3)17(22)19-13-16(21)23-11-5-2/h4-5,14H,1-2,6-13H2,3H3,(H,19,22)
InChIKeyUPUIPCLUMXSECX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.29
Rot. Bonds9

About [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate

[1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate (PubChem CID 54771416) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate.

Molecular Properties

Compound Name[1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate
PubChem CID54771416
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name[1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate
SMILESC=CCOC(=O)CNC(=O)C1(OC(=O)CC)CCCC(CC=C)C1
InChIInChI=1S/C18H27NO5/c1-4-8-14-9-7-10-18(12-14,24-15(20)6-3)17(22)19-13-16(21)23-11-5-2/h4-5,14H,1-2,6-13H2,3H3,(H,19,22)
InChIKeyUPUIPCLUMXSECX-UHFFFAOYSA-N
XLogP2.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
Prop-2-enyl 2-[(1-acetyloxy-3-prop-2-enylcyclohexanecarbonyl)amino]acetate
CID 54771415
[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 [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate?
The IUPAC name of [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate (CID 54771416) is [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate.
What is the SMILES notation for [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate?
The canonical SMILES for [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate is C=CCOC(=O)CNC(=O)C1(OC(=O)CC)CCCC(CC=C)C1.
What is the InChIKey of [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate?
The InChIKey is UPUIPCLUMXSECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-4-8-14-9-7-10-18(12-14,24-15(20)6-3)17(22)19-13-16(21)23-11-5-2/h4-5,14H,1-2,6-13H2,3H3,(H,19,22).
What are the key properties of [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate?
[1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate has a molecular weight of 337.42 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-oxo-2-prop-2-enoxyethyl)carbamoyl]-3-prop-2-enylcyclohexyl] propanoate is sourced from PubChem (CID 54771416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).