2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate

C16H25NO5 — CID 118257853

IUPAC2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC1(C2CCCCC2)CCOC1
InChIInChI=1S/C16H25NO5/c1-2-14(18)21-11-9-17-15(19)22-16(8-10-20-12-16)13-6-4-3-5-7-13/h2,13H,1,3-12H2,(H,17,19)
InChIKeyZCAKPVATVVEXCF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.18
Rot. Bonds6

About 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate

2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 118257853) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
PubChem CID118257853
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC1(C2CCCCC2)CCOC1
InChIInChI=1S/C16H25NO5/c1-2-14(18)21-11-9-17-15(19)22-16(8-10-20-12-16)13-6-4-3-5-7-13/h2,13H,1,3-12H2,(H,17,19)
InChIKeyZCAKPVATVVEXCF-UHFFFAOYSA-N
XLogP2.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-propan-2-yloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 118257851
2-[(1-cyclopentylcyclohexyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257882
2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
CID 146561836
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-acetamidoethyl prop-2-enoate
CID 23089005
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
2-morpholin-4-ium-4-ylethyl prop-2-enoate
CID 150494618
2-[(but-2-en-2-ylamino)oxycarbonylamino]ethyl prop-2-enoate
CID 91094626
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate (CID 118257853) is 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OC1(C2CCCCC2)CCOC1.
What is the InChIKey of 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is ZCAKPVATVVEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-2-14(18)21-11-9-17-15(19)22-16(8-10-20-12-16)13-6-4-3-5-7-13/h2,13H,1,3-12H2,(H,17,19).
What are the key properties of 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate?
2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 311.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyloxolan-3-yl)oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 118257853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).