methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate

C15H26N2O6 — CID 25221074

IUPACmethyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
SMILESC=C(C)C(=O)NCCOCCOCCNC(=O)CCC(=O)OC
InChIInChI=1S/C15H26N2O6/c1-12(2)15(20)17-7-9-23-11-10-22-8-6-16-13(18)4-5-14(19)21-3/h1,4-11H2,2-3H3,(H,16,18)(H,17,20)
InChIKeyIVVFOSZSAGWYKG-UHFFFAOYSA-N
MW330.38 g/mol
LogP-0.22
Rot. Bonds13

About methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate

methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate (PubChem CID 25221074) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
PubChem CID25221074
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Namemethyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
SMILESC=C(C)C(=O)NCCOCCOCCNC(=O)CCC(=O)OC
InChIInChI=1S/C15H26N2O6/c1-12(2)15(20)17-7-9-23-11-10-22-8-6-16-13(18)4-5-14(19)21-3/h1,4-11H2,2-3H3,(H,16,18)(H,17,20)
InChIKeyIVVFOSZSAGWYKG-UHFFFAOYSA-N
XLogP-0.22
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
ethyl 4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobutanoate
CID 138741807
2-methyl-N-[2-[2-[2-[[2-(phosphanylamino)oxyacetyl]amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 144887822
propan-2-yl 4-[4-(2-methylprop-2-enoylamino)butylamino]-4-oxobutanoate
CID 59532979
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 175294176
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023
2-methyl-N-[2-[2-(3-oxo-4-phosphorosobutoxy)ethoxy]ethyl]prop-2-enamide
CID 121359437
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
2-[2-[3-[2-[(3-methoxy-3-oxopropanoyl)amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
CID 58882709

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate (CID 25221074) is methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate is C=C(C)C(=O)NCCOCCOCCNC(=O)CCC(=O)OC.
What is the InChIKey of methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate?
The InChIKey is IVVFOSZSAGWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-12(2)15(20)17-7-9-23-11-10-22-8-6-16-13(18)4-5-14(19)21-3/h1,4-11H2,2-3H3,(H,16,18)(H,17,20).
What are the key properties of methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate?
methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate has a molecular weight of 330.38 g/mol, XLogP of -0.22, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 25221074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).