N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide

C22H36N2O4 — CID 87828057

IUPACN-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)N(CCN(C(=O)CCCCC)C(=O)C(=C)C)C(=O)CCCCC
InChIInChI=1S/C22H36N2O4/c1-7-9-11-13-19(25)23(21(27)17(3)4)15-16-24(22(28)18(5)6)20(26)14-12-10-8-2/h3,5,7-16H2,1-2,4,6H3
InChIKeyCDBZLXFMOVGSTL-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.01
Rot. Bonds13

About N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide

N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide (PubChem CID 87828057) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide.

Molecular Properties

Compound NameN-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide
PubChem CID87828057
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC NameN-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)N(CCN(C(=O)CCCCC)C(=O)C(=C)C)C(=O)CCCCC
InChIInChI=1S/C22H36N2O4/c1-7-9-11-13-19(25)23(21(27)17(3)4)15-16-24(22(28)18(5)6)20(26)14-12-10-8-2/h3,5,7-16H2,1-2,4,6H3
InChIKeyCDBZLXFMOVGSTL-UHFFFAOYSA-N
XLogP4.01
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide?
The IUPAC name of N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide (CID 87828057) is N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide.
What is the SMILES notation for N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide?
The canonical SMILES for N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide is C=C(C)C(=O)N(CCN(C(=O)CCCCC)C(=O)C(=C)C)C(=O)CCCCC.
What is the InChIKey of N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide?
The InChIKey is CDBZLXFMOVGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-7-9-11-13-19(25)23(21(27)17(3)4)15-16-24(22(28)18(5)6)20(26)14-12-10-8-2/h3,5,7-16H2,1-2,4,6H3.
What are the key properties of N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide?
N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide has a molecular weight of 392.54 g/mol, XLogP of 4.01, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hexanoyl(2-methylprop-2-enoyl)amino]ethyl]-N-(2-methylprop-2-enoyl)hexanamide is sourced from PubChem (CID 87828057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).