3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide

C15H28N2O6 — CID 167044215

IUPAC3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
SMILESCC(=O)CCOCC(C)(COCCC(N)=O)COCCC(N)=O
InChIInChI=1S/C15H28N2O6/c1-12(18)3-6-21-9-15(2,10-22-7-4-13(16)19)11-23-8-5-14(17)20/h3-11H2,1-2H3,(H2,16,19)(H2,17,20)
InChIKeyFOMYLPKQKOAUNZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.23
Rot. Bonds15

About 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide

3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide (PubChem CID 167044215) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
PubChem CID167044215
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
SMILESCC(=O)CCOCC(C)(COCCC(N)=O)COCCC(N)=O
InChIInChI=1S/C15H28N2O6/c1-12(18)3-6-21-9-15(2,10-22-7-4-13(16)19)11-23-8-5-14(17)20/h3-11H2,1-2H3,(H2,16,19)(H2,17,20)
InChIKeyFOMYLPKQKOAUNZ-UHFFFAOYSA-N
XLogP-0.23
TPSA130.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide?
The IUPAC name of 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide (CID 167044215) is 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide.
What is the SMILES notation for 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide?
The canonical SMILES for 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide is CC(=O)CCOCC(C)(COCCC(N)=O)COCCC(N)=O.
What is the InChIKey of 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide?
The InChIKey is FOMYLPKQKOAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-12(18)3-6-21-9-15(2,10-22-7-4-13(16)19)11-23-8-5-14(17)20/h3-11H2,1-2H3,(H2,16,19)(H2,17,20).
What are the key properties of 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide?
3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide has a molecular weight of 332.40 g/mol, XLogP of -0.23, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide is sourced from PubChem (CID 167044215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).