ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate

C17H34N2O4 — CID 176575986

IUPACethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate
SMILESCCC1CCCCC1.CCOC(=O)CNCCOCCNC=O
InChIInChI=1S/C9H18N2O4.C8H16/c1-2-15-9(13)7-10-3-5-14-6-4-11-8-12;1-2-8-6-4-3-5-7-8/h8,10H,2-7H2,1H3,(H,11,12);8H,2-7H2,1H3
InChIKeyVCUGRCCTDITBBV-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.88
Rot. Bonds11

About ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate

ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate (PubChem CID 176575986) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate.

Molecular Properties

Compound Nameethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate
PubChem CID176575986
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Nameethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate
SMILESCCC1CCCCC1.CCOC(=O)CNCCOCCNC=O
InChIInChI=1S/C9H18N2O4.C8H16/c1-2-15-9(13)7-10-3-5-14-6-4-11-8-12;1-2-8-6-4-3-5-7-8/h8,10H,2-7H2,1H3,(H,11,12);8H,2-7H2,1H3
InChIKeyVCUGRCCTDITBBV-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
N-[2-(cyclohexylmethoxy)ethyl]formamide
CID 164604134
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 2-(2-piperidin-4-yloxyethylamino)acetate
CID 176582615
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate?
The IUPAC name of ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate (CID 176575986) is ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate.
What is the SMILES notation for ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate?
The canonical SMILES for ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate is CCC1CCCCC1.CCOC(=O)CNCCOCCNC=O.
What is the InChIKey of ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate?
The InChIKey is VCUGRCCTDITBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4.C8H16/c1-2-15-9(13)7-10-3-5-14-6-4-11-8-12;1-2-8-6-4-3-5-7-8/h8,10H,2-7H2,1H3,(H,11,12);8H,2-7H2,1H3.
What are the key properties of ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate?
ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate has a molecular weight of 330.47 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate is sourced from PubChem (CID 176575986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).