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

C14H23NO4 — CID 87759148

IUPAC6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN(C)C(=O)C(C)=O
InChIInChI=1S/C14H23NO4/c1-11(2)14(18)19-10-8-6-5-7-9-15(4)13(17)12(3)16/h1,5-10H2,2-4H3
InChIKeyOIVAXVCNTMGGMD-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds9

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

6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate (PubChem CID 87759148) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
PubChem CID87759148
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN(C)C(=O)C(C)=O
InChIInChI=1S/C14H23NO4/c1-11(2)14(18)19-10-8-6-5-7-9-15(4)13(17)12(3)16/h1,5-10H2,2-4H3
InChIKeyOIVAXVCNTMGGMD-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
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-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate (CID 87759148) is 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN(C)C(=O)C(C)=O.
What is the InChIKey of 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
The InChIKey is OIVAXVCNTMGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-11(2)14(18)19-10-8-6-5-7-9-15(4)13(17)12(3)16/h1,5-10H2,2-4H3.
What are the key properties of 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate?
6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 1.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 87759148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).