methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate

C14H23NO5 — CID 59029711

IUPACmethyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate
SMILESC=CC(=O)N(CCCCCC(=O)OC)CC(=O)OCC
InChIInChI=1S/C14H23NO5/c1-4-12(16)15(11-14(18)20-5-2)10-8-6-7-9-13(17)19-3/h4H,1,5-11H2,2-3H3
InChIKeyLPMXGPBCNPPXRK-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.30
Rot. Bonds10

About methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate

methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate (PubChem CID 59029711) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate
PubChem CID59029711
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namemethyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate
SMILESC=CC(=O)N(CCCCCC(=O)OC)CC(=O)OCC
InChIInChI=1S/C14H23NO5/c1-4-12(16)15(11-14(18)20-5-2)10-8-6-7-9-13(17)19-3/h4H,1,5-11H2,2-3H3
InChIKeyLPMXGPBCNPPXRK-UHFFFAOYSA-N
XLogP1.30
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate
CID 146324502
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
2-[(3-methoxy-3-oxopropyl)-prop-2-enoylamino]acetic acid
CID 89333212
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
ethyl 7-[bis(prop-2-enyl)amino]heptanoate
CID 15467062
methyl 5-[acetyl(dodecyl)amino]pentanoate
CID 14219899
diethyl icosanedioate
CID 5058538
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate?
The IUPAC name of methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate (CID 59029711) is methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate.
What is the SMILES notation for methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate?
The canonical SMILES for methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate is C=CC(=O)N(CCCCCC(=O)OC)CC(=O)OCC.
What is the InChIKey of methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate?
The InChIKey is LPMXGPBCNPPXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-4-12(16)15(11-14(18)20-5-2)10-8-6-7-9-13(17)19-3/h4H,1,5-11H2,2-3H3.
What are the key properties of methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate?
methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate has a molecular weight of 285.34 g/mol, XLogP of 1.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate is sourced from PubChem (CID 59029711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).