2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

C20H39NO6 — CID 158884270

IUPAC2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CC(=O)CCCOCCOCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C20H39NO6/c1-17(2)16-19(22)6-5-8-24-10-12-26-14-15-27-13-11-25-9-7-21-20(23)18(3)4/h17-18H,5-16H2,1-4H3,(H,21,23)
InChIKeyOEPUIGQFLJPDSM-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.22
Rot. Bonds19

About 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 158884270) has the molecular formula C20H39NO6 and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID158884270
Molecular FormulaC20H39NO6
Molecular Weight389.53 g/mol
Exact Mass389.28
IUPAC Name2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CC(=O)CCCOCCOCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C20H39NO6/c1-17(2)16-19(22)6-5-8-24-10-12-26-14-15-27-13-11-25-9-7-21-20(23)18(3)4/h17-18H,5-16H2,1-4H3,(H,21,23)
InChIKeyOEPUIGQFLJPDSM-UHFFFAOYSA-N
XLogP2.22
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629
2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
CID 159032756
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 158884270) is 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is CC(C)CC(=O)CCCOCCOCCOCCOCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is OEPUIGQFLJPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO6/c1-17(2)16-19(22)6-5-8-24-10-12-26-14-15-27-13-11-25-9-7-21-20(23)18(3)4/h17-18H,5-16H2,1-4H3,(H,21,23).
What are the key properties of 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 389.53 g/mol, XLogP of 2.22, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 158884270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).