1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate

C19H29NO5 — CID 140574115

IUPAC1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)OC1(C(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C19H29NO5/c1-3-16(21)24-14(2)20-18(23)25-19(12-8-5-9-13-19)17(22)15-10-6-4-7-11-15/h3,14-15H,1,4-13H2,2H3,(H,20,23)
InChIKeyKFHPCYBDGMPLLC-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.64
Rot. Bonds6

About 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate

1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 140574115) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate
PubChem CID140574115
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)OC1(C(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C19H29NO5/c1-3-16(21)24-14(2)20-18(23)25-19(12-8-5-9-13-19)17(22)15-10-6-4-7-11-15/h3,14-15H,1,4-13H2,2H3,(H,20,23)
InChIKeyKFHPCYBDGMPLLC-UHFFFAOYSA-N
XLogP3.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate (CID 140574115) is 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OC(C)NC(=O)OC1(C(=O)C2CCCCC2)CCCCC1.
What is the InChIKey of 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is KFHPCYBDGMPLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-3-16(21)24-14(2)20-18(23)25-19(12-8-5-9-13-19)17(22)15-10-6-4-7-11-15/h3,14-15H,1,4-13H2,2H3,(H,20,23).
What are the key properties of 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate?
1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 351.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexanecarbonyl)cyclohexyl]oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 140574115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).