N,N-bis(methoxymethyl)butanamide

C8H17NO3 — CID 59789167

IUPACN,N-bis(methoxymethyl)butanamide
SMILESCCCC(=O)N(COC)COC
InChIInChI=1S/C8H17NO3/c1-4-5-8(10)9(6-11-2)7-12-3/h4-7H2,1-3H3
InChIKeyCFUOTGIHDAXGGK-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.82
Rot. Bonds6

About N,N-bis(methoxymethyl)butanamide

N,N-bis(methoxymethyl)butanamide (PubChem CID 59789167) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N,N-bis(methoxymethyl)butanamide.

Molecular Properties

Compound NameN,N-bis(methoxymethyl)butanamide
PubChem CID59789167
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN,N-bis(methoxymethyl)butanamide
SMILESCCCC(=O)N(COC)COC
InChIInChI=1S/C8H17NO3/c1-4-5-8(10)9(6-11-2)7-12-3/h4-7H2,1-3H3
InChIKeyCFUOTGIHDAXGGK-UHFFFAOYSA-N
XLogP0.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methoxymethyl)butanamide?
The IUPAC name of N,N-bis(methoxymethyl)butanamide (CID 59789167) is N,N-bis(methoxymethyl)butanamide.
What is the SMILES notation for N,N-bis(methoxymethyl)butanamide?
The canonical SMILES for N,N-bis(methoxymethyl)butanamide is CCCC(=O)N(COC)COC.
What is the InChIKey of N,N-bis(methoxymethyl)butanamide?
The InChIKey is CFUOTGIHDAXGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-5-8(10)9(6-11-2)7-12-3/h4-7H2,1-3H3.
What are the key properties of N,N-bis(methoxymethyl)butanamide?
N,N-bis(methoxymethyl)butanamide has a molecular weight of 175.23 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methoxymethyl)butanamide is sourced from PubChem (CID 59789167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).