methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate

C16H29NO2 — CID 103240731

IUPACmethyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate
SMILESCC/C(=C/CNCC1CCC(CC)CC1)C(=O)OC
InChIInChI=1S/C16H29NO2/c1-4-13-6-8-14(9-7-13)12-17-11-10-15(5-2)16(18)19-3/h10,13-14,17H,4-9,11-12H2,1-3H3/b15-10-
InChIKeyCHKGXLFUDBUEBQ-GDNBJRDFSA-N
MW267.41 g/mol
LogP3.30
Rot. Bonds7

About methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate

methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate (PubChem CID 103240731) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate
PubChem CID103240731
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate
SMILESCC/C(=C/CNCC1CCC(CC)CC1)C(=O)OC
InChIInChI=1S/C16H29NO2/c1-4-13-6-8-14(9-7-13)12-17-11-10-15(5-2)16(18)19-3/h10,13-14,17H,4-9,11-12H2,1-3H3/b15-10-
InChIKeyCHKGXLFUDBUEBQ-GDNBJRDFSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-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 methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate (CID 103240731) is methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate is CC/C(=C/CNCC1CCC(CC)CC1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate?
The InChIKey is CHKGXLFUDBUEBQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-13-6-8-14(9-7-13)12-17-11-10-15(5-2)16(18)19-3/h10,13-14,17H,4-9,11-12H2,1-3H3/b15-10-.
What are the key properties of methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate?
methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate has a molecular weight of 267.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[(4-ethylcyclohexyl)methylamino]but-2-enoate is sourced from PubChem (CID 103240731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).