2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate

C16H26N2O7 — CID 58961723

IUPAC2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC
InChIInChI=1S/C16H26N2O7/c1-4-13(19)17-5-6-18-14(20)11-15(21)24-9-7-23-8-10-25-16(22)12(2)3/h2,4-11H2,1,3H3,(H,17,19)(H,18,20)
InChIKeyHNOPFCHVZGBSGA-UHFFFAOYSA-N
MW358.39 g/mol
LogP-0.30
Rot. Bonds13

About 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate

2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58961723) has the molecular formula C16H26N2O7 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
PubChem CID58961723
Molecular FormulaC16H26N2O7
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Name2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC
InChIInChI=1S/C16H26N2O7/c1-4-13(19)17-5-6-18-14(20)11-15(21)24-9-7-23-8-10-25-16(22)12(2)3/h2,4-11H2,1,3H3,(H,17,19)(H,18,20)
InChIKeyHNOPFCHVZGBSGA-UHFFFAOYSA-N
XLogP-0.30
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butoxycarbonyl-acryloyl ethylene diamine
CID 129826515
[3-[[3-(1-Methoxy-2-methylpropan-2-yl)oxy-3-oxopropyl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20643768
2-(3-Acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate
CID 22558286
[3-(Butylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 54102310
Ethyl 2-(butylcarbamoyl)prop-2-enoate
CID 54405386
[3-Oxo-3-(2-prop-2-enoyloxyethoxy)propyl] 3-oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoate
CID 57679004
[3-Oxo-3-(2-prop-2-enoyloxyethoxy)propyl] 3-oxo-3-(propylamino)propanoate
CID 57679007
(3-Oxo-3-propoxypropyl) 3-oxo-3-[2-[[3-oxo-3-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propoxy]propanoyl]amino]ethylamino]propanoate
CID 57752150
2-[2-[3-Oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
CID 58882685
2-[2-[3-[2-[[3-(2-Methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
CID 58882694
2-[2-[3-[2-[(3-Methoxy-3-oxopropanoyl)amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
CID 58882709
1-[1-[3-Oxo-3-[2-(3-oxobutanoylamino)ethylamino]propanoyl]oxypropan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 58882711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (CID 58961723) is 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC.
What is the InChIKey of 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is HNOPFCHVZGBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O7/c1-4-13(19)17-5-6-18-14(20)11-15(21)24-9-7-23-8-10-25-16(22)12(2)3/h2,4-11H2,1,3H3,(H,17,19)(H,18,20).
What are the key properties of 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 358.39 g/mol, XLogP of -0.30, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-oxo-3-[2-(propanoylamino)ethylamino]propanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58961723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).