N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide

C16H29NO4 — CID 164965899

IUPACN-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide
SMILESCOCCNC(=O)C(CC(=O)CC(C)C)CC(=O)C(C)C
InChIInChI=1S/C16H29NO4/c1-11(2)8-14(18)9-13(10-15(19)12(3)4)16(20)17-6-7-21-5/h11-13H,6-10H2,1-5H3,(H,17,20)
InChIKeyAZCMLHFIHJFSBB-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.99
Rot. Bonds11

About N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide

N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide (PubChem CID 164965899) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide
PubChem CID164965899
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide
SMILESCOCCNC(=O)C(CC(=O)CC(C)C)CC(=O)C(C)C
InChIInChI=1S/C16H29NO4/c1-11(2)8-14(18)9-13(10-15(19)12(3)4)16(20)17-6-7-21-5/h11-13H,6-10H2,1-5H3,(H,17,20)
InChIKeyAZCMLHFIHJFSBB-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide 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-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide (CID 164965899) is N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide is COCCNC(=O)C(CC(=O)CC(C)C)CC(=O)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide?
The InChIKey is AZCMLHFIHJFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-11(2)8-14(18)9-13(10-15(19)12(3)4)16(20)17-6-7-21-5/h11-13H,6-10H2,1-5H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide?
N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide has a molecular weight of 299.41 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-(3-methyl-2-oxobutyl)-4-oxoheptanamide is sourced from PubChem (CID 164965899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).