methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate

C13H23NO4 — CID 103252912

IUPACmethyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate
SMILESCCOC(=O)CCCNC/C=C(/CC)C(=O)OC
InChIInChI=1S/C13H23NO4/c1-4-11(13(16)17-3)8-10-14-9-6-7-12(15)18-5-2/h8,14H,4-7,9-10H2,1-3H3/b11-8-
InChIKeyHZAGHYBXBHSJIV-FLIBITNWSA-N
MW257.33 g/mol
LogP1.43
Rot. Bonds9

About methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate

methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate (PubChem CID 103252912) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate
PubChem CID103252912
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate
SMILESCCOC(=O)CCCNC/C=C(/CC)C(=O)OC
InChIInChI=1S/C13H23NO4/c1-4-11(13(16)17-3)8-10-14-9-6-7-12(15)18-5-2/h8,14H,4-7,9-10H2,1-3H3/b11-8-
InChIKeyHZAGHYBXBHSJIV-FLIBITNWSA-N
XLogP1.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
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

methyl 4-[(4-amino-4-oxobutyl)amino]-2-ethylbut-2-enoate
CID 103239746
methyl 2-ethyl-4-(3-methylsulfinylpropylamino)but-2-enoate
CID 103264976
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
methyl 4-(cyclopropylmethylamino)-2-ethylbut-2-enoate
CID 103231152
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
CID 106294424
diethyl hexanedioate
CID 160747628
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate (CID 103252912) is methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate is CCOC(=O)CCCNC/C=C(/CC)C(=O)OC.
What is the InChIKey of methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate?
The InChIKey is HZAGHYBXBHSJIV-FLIBITNWSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-11(13(16)17-3)8-10-14-9-6-7-12(15)18-5-2/h8,14H,4-7,9-10H2,1-3H3/b11-8-.
What are the key properties of methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate?
methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate has a molecular weight of 257.33 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate is sourced from PubChem (CID 103252912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).