2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate

C14H26N2O4 — CID 163864906

IUPAC2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
SMILESCC/C=C(/C)C(=O)OCCNCCNCCOC(C)=O
InChIInChI=1S/C14H26N2O4/c1-4-5-12(2)14(18)20-11-9-16-7-6-15-8-10-19-13(3)17/h5,15-16H,4,6-11H2,1-3H3/b12-5-
InChIKeyPFUVGECUCRHQEA-XGICHPGQSA-N
MW286.37 g/mol
LogP0.63
Rot. Bonds11

About 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate

2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate (PubChem CID 163864906) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate.

Molecular Properties

Compound Name2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
PubChem CID163864906
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
SMILESCC/C=C(/C)C(=O)OCCNCCNCCOC(C)=O
InChIInChI=1S/C14H26N2O4/c1-4-5-12(2)14(18)20-11-9-16-7-6-15-8-10-19-13(3)17/h5,15-16H,4,6-11H2,1-3H3/b12-5-
InChIKeyPFUVGECUCRHQEA-XGICHPGQSA-N
XLogP0.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.63
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

2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
ethyl (E)-2-methylpent-2-enoate
CID 6436311
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
CID 162327339
hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
(Z)-N-[2-(2-methoxyethylamino)ethyl]-2-methylpent-2-enamide
CID 82994252
chloromethyl 2-methylpent-2-enoate
CID 174869785
(4-methyl-3-oxopent-4-enyl) 2-methylpent-2-enoate
CID 91164062
2-(acetyloxymethylamino)ethyl acetate
CID 87473445
(carbamoylamino) 2-methylpent-2-enoate
CID 173054896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate?
The IUPAC name of 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate (CID 163864906) is 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate.
What is the SMILES notation for 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate?
The canonical SMILES for 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate is CC/C=C(/C)C(=O)OCCNCCNCCOC(C)=O.
What is the InChIKey of 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate?
The InChIKey is PFUVGECUCRHQEA-XGICHPGQSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-5-12(2)14(18)20-11-9-16-7-6-15-8-10-19-13(3)17/h5,15-16H,4,6-11H2,1-3H3/b12-5-.
What are the key properties of 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate?
2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate has a molecular weight of 286.37 g/mol, XLogP of 0.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate is sourced from PubChem (CID 163864906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).