ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate

C14H25NO4 — CID 155679811

IUPACethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate
SMILESC=CCOCCOC1CCC(NC(=O)OCC)CC1
InChIInChI=1S/C14H25NO4/c1-3-9-17-10-11-19-13-7-5-12(6-8-13)15-14(16)18-4-2/h3,12-13H,1,4-11H2,2H3,(H,15,16)
InChIKeyQLXQCGZRFRJCPW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds8

About ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate

ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate (PubChem CID 155679811) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate
PubChem CID155679811
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate
SMILESC=CCOCCOC1CCC(NC(=O)OCC)CC1
InChIInChI=1S/C14H25NO4/c1-3-9-17-10-11-19-13-7-5-12(6-8-13)15-14(16)18-4-2/h3,12-13H,1,4-11H2,2H3,(H,15,16)
InChIKeyQLXQCGZRFRJCPW-UHFFFAOYSA-N
XLogP2.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate (CID 155679811) is ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate is C=CCOCCOC1CCC(NC(=O)OCC)CC1.
What is the InChIKey of ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate?
The InChIKey is QLXQCGZRFRJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-9-17-10-11-19-13-7-5-12(6-8-13)15-14(16)18-4-2/h3,12-13H,1,4-11H2,2H3,(H,15,16).
What are the key properties of ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate?
ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2-prop-2-enoxyethoxy)cyclohexyl]carbamate is sourced from PubChem (CID 155679811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).