N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide

C16H29NO4 — CID 90221510

IUPACN-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide
SMILESCC(=O)NCC(=O)C(C)(C)OCCCCCC(=O)C(C)C
InChIInChI=1S/C16H29NO4/c1-12(2)14(19)9-7-6-8-10-21-16(4,5)15(20)11-17-13(3)18/h12H,6-11H2,1-5H3,(H,17,18)
InChIKeyOMPBQLDLKUXHIK-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.27
Rot. Bonds11

About N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide

N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide (PubChem CID 90221510) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide
PubChem CID90221510
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC NameN-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide
SMILESCC(=O)NCC(=O)C(C)(C)OCCCCCC(=O)C(C)C
InChIInChI=1S/C16H29NO4/c1-12(2)14(19)9-7-6-8-10-21-16(4,5)15(20)11-17-13(3)18/h12H,6-11H2,1-5H3,(H,17,18)
InChIKeyOMPBQLDLKUXHIK-UHFFFAOYSA-N
XLogP2.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide?
The IUPAC name of N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide (CID 90221510) is N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide.
What is the SMILES notation for N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide?
The canonical SMILES for N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide is CC(=O)NCC(=O)C(C)(C)OCCCCCC(=O)C(C)C.
What is the InChIKey of N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide?
The InChIKey is OMPBQLDLKUXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(2)14(19)9-7-6-8-10-21-16(4,5)15(20)11-17-13(3)18/h12H,6-11H2,1-5H3,(H,17,18).
What are the key properties of N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide?
N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide has a molecular weight of 299.41 g/mol, XLogP of 2.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide is sourced from PubChem (CID 90221510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).