2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate

C16H24N2O6 — CID 154988870

IUPAC2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)NCCN(CCC(=O)OCCOC(=O)C(=C)C)C(C)=O
InChIInChI=1S/C16H24N2O6/c1-5-14(20)17-7-9-18(13(4)19)8-6-15(21)23-10-11-24-16(22)12(2)3/h5H,1-2,6-11H2,3-4H3,(H,17,20)
InChIKeyKYUXNRSUAKXKKZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.19
Rot. Bonds11

About 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate

2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 154988870) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
PubChem CID154988870
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)NCCN(CCC(=O)OCCOC(=O)C(=C)C)C(C)=O
InChIInChI=1S/C16H24N2O6/c1-5-14(20)17-7-9-18(13(4)19)8-6-15(21)23-10-11-24-16(22)12(2)3/h5H,1-2,6-11H2,3-4H3,(H,17,20)
InChIKeyKYUXNRSUAKXKKZ-UHFFFAOYSA-N
XLogP0.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
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

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
CID 161027118
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865
3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate
CID 139977048
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
hexadecyl 3-(prop-2-enoylamino)propanoate
CID 91712853
dodecyl 3-(prop-2-enoylamino)propanoate
CID 91739006
2-[2-(2-methylprop-2-enoyloxy)ethyldisulfanyl]ethyl 2-methylprop-2-enoate;N-[2-(4-oxohex-5-enyldisulfanyl)ethyl]prop-2-enamide
CID 159018116
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
hexyl 4-(prop-2-enoylamino)butanoate
CID 170269478

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate (CID 154988870) is 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate is C=CC(=O)NCCN(CCC(=O)OCCOC(=O)C(=C)C)C(C)=O.
What is the InChIKey of 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is KYUXNRSUAKXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-5-14(20)17-7-9-18(13(4)19)8-6-15(21)23-10-11-24-16(22)12(2)3/h5H,1-2,6-11H2,3-4H3,(H,17,20).
What are the key properties of 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate?
2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 0.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl-[2-(prop-2-enoylamino)ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 154988870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).