ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate

C14H25NO4 — CID 83043236

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
SMILESC=CCN(CC(=O)OCC)C(CCC)C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-5-9-12(14(17)19-8-4)15(10-6-2)11-13(16)18-7-3/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyIPJHQFTXAFXRMZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.77
Rot. Bonds10

About ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate

ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate (PubChem CID 83043236) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
PubChem CID83043236
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
SMILESC=CCN(CC(=O)OCC)C(CCC)C(=O)OCC
InChIInChI=1S/C14H25NO4/c1-5-9-12(14(17)19-8-4)15(10-6-2)11-13(16)18-7-3/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyIPJHQFTXAFXRMZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate 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 (2S)-2-[bis(prop-2-enyl)amino]-4-methylsulfanylbutanoate
CID 126494805
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
CID 115539173
4-[bis(2-ethoxy-2-oxoethyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 58703850
ethyl (2S)-2-[bis(prop-2-enyl)amino]pent-4-ynoate
CID 132820559
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl 5-(diaminomethylideneamino)-2-[pentyl(prop-2-enyl)amino]pentanoate
CID 174685650
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
CID 62899515
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate (CID 83043236) is ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate is C=CCN(CC(=O)OCC)C(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate?
The InChIKey is IPJHQFTXAFXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-9-12(14(17)19-8-4)15(10-6-2)11-13(16)18-7-3/h6,12H,2,5,7-11H2,1,3-4H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate has a molecular weight of 271.36 g/mol, XLogP of 1.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate is sourced from PubChem (CID 83043236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).