2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate

C15H24N2O7 — CID 20659321

IUPAC2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate
SMILESC=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCN(C)C
InChIInChI=1S/C15H24N2O7/c1-4-13(19)23-9-10-24-14(20)6-5-12(18)16-11-15(21)22-8-7-17(2)3/h4H,1,5-11H2,2-3H3,(H,16,18)
InChIKeyFKBZLAXBZVGWSY-UHFFFAOYSA-N
MW344.36 g/mol
LogP-0.74
Rot. Bonds12

About 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate

2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate (PubChem CID 20659321) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate
PubChem CID20659321
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Name2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate
SMILESC=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCN(C)C
InChIInChI=1S/C15H24N2O7/c1-4-13(19)23-9-10-24-14(20)6-5-12(18)16-11-15(21)22-8-7-17(2)3/h4H,1,5-11H2,2-3H3,(H,16,18)
InChIKeyFKBZLAXBZVGWSY-UHFFFAOYSA-N
XLogP-0.74
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate
CID 20643857
2-(2-Methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]-4-oxobutanoate
CID 20643913
2-Prop-2-enoyloxyethyl 4-[[2-(1-chloro-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]-4-oxobutanoate
CID 20643950
2-Prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate
CID 20643952
2-Prop-2-enoyloxyethyl 4-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]-4-oxobutanoate
CID 20643953
2-Prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate
CID 20643954
2-(2-Methylprop-2-enoyloxy)ethyl 4-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 20659304
2-(2-Methylprop-2-enoyloxy)ethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 20659315
2-Prop-2-enoyloxyethyl 4-[[1-(1-ethoxyethoxy)-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 20659318
2-Prop-2-enoyloxyethyl 4-[[2-(1-ethoxyethoxy)-2-oxoethyl]amino]-4-oxobutanoate
CID 20659319
2-Prop-2-enoyloxyethyl 4-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 20659320
Propan-2-yl 4-oxo-4-(2-prop-2-enoyloxyethylamino)butanoate
CID 59532853

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate (CID 20659321) is 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate is C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCN(C)C.
What is the InChIKey of 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate?
The InChIKey is FKBZLAXBZVGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7/c1-4-13(19)23-9-10-24-14(20)6-5-12(18)16-11-15(21)22-8-7-17(2)3/h4H,1,5-11H2,2-3H3,(H,16,18).
What are the key properties of 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate?
2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate has a molecular weight of 344.36 g/mol, XLogP of -0.74, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 4-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 20659321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).