2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide

C15H31N3O4 — CID 138727149

IUPAC2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CNC(=O)NCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C15H31N3O4/c1-12(2)11-18-15(20)17-6-8-22-10-9-21-7-5-16-14(19)13(3)4/h12-13H,5-11H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyZLWNZKAQHMTYTC-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.75
Rot. Bonds12

About 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 138727149) has the molecular formula C15H31N3O4 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
PubChem CID138727149
Molecular FormulaC15H31N3O4
Molecular Weight317.43 g/mol
Exact Mass317.23
IUPAC Name2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)CNC(=O)NCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C15H31N3O4/c1-12(2)11-18-15(20)17-6-8-22-10-9-21-7-5-16-14(19)13(3)4/h12-13H,5-11H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyZLWNZKAQHMTYTC-UHFFFAOYSA-N
XLogP0.75
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethyl]-3-(2-methylpropyl)urea
CID 157491190
1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea
CID 167243372
1-[2-(3,3-dimethylbutoxy)ethyl]-3-(2-methylpropyl)urea
CID 164775026
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
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide (CID 138727149) is 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide is CC(C)CNC(=O)NCCOCCOCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is ZLWNZKAQHMTYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4/c1-12(2)11-18-15(20)17-6-8-22-10-9-21-7-5-16-14(19)13(3)4/h12-13H,5-11H2,1-4H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 0.75, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 138727149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).