6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate

C15H25NO4 — CID 87758863

IUPAC6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN(CC)C(=O)C(C)=O
InChIInChI=1S/C15H25NO4/c1-5-16(14(18)13(4)17)10-8-6-7-9-11-20-15(19)12(2)3/h2,5-11H2,1,3-4H3
InChIKeyIZHIEYFETQEYCO-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.10
Rot. Bonds10

About 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate

6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate (PubChem CID 87758863) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
PubChem CID87758863
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN(CC)C(=O)C(C)=O
InChIInChI=1S/C15H25NO4/c1-5-16(14(18)13(4)17)10-8-6-7-9-11-20-15(19)12(2)3/h2,5-11H2,1,3-4H3
InChIKeyIZHIEYFETQEYCO-UHFFFAOYSA-N
XLogP2.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate (CID 87758863) is 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN(CC)C(=O)C(C)=O.
What is the InChIKey of 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
The InChIKey is IZHIEYFETQEYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-16(14(18)13(4)17)10-8-6-7-9-11-20-15(19)12(2)3/h2,5-11H2,1,3-4H3.
What are the key properties of 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate has a molecular weight of 283.37 g/mol, XLogP of 2.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 87758863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).