2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate

C15H25NO4 — CID 126547486

IUPAC2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC1CCC(C)CC1
InChIInChI=1S/C15H25NO4/c1-11(2)14(17)19-9-8-16-15(18)20-10-13-6-4-12(3)5-7-13/h12-13H,1,4-10H2,2-3H3,(H,16,18)
InChIKeyQEXAAVQMXGJFJT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.66
Rot. Bonds6

About 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 126547486) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID126547486
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC1CCC(C)CC1
InChIInChI=1S/C15H25NO4/c1-11(2)14(17)19-9-8-16-15(18)20-10-13-6-4-12(3)5-7-13/h12-13H,1,4-10H2,2-3H3,(H,16,18)
InChIKeyQEXAAVQMXGJFJT-UHFFFAOYSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
[4-(acetamidomethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 58651922
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
2-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 165341124
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-[[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]piperidine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 14669980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 126547486) is 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC1CCC(C)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is QEXAAVQMXGJFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11(2)14(17)19-9-8-16-15(18)20-10-13-6-4-12(3)5-7-13/h12-13H,1,4-10H2,2-3H3,(H,16,18).
What are the key properties of 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 283.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)methoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 126547486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).