N-[3-(methoxymethoxy)butan-2-yl]formamide

C7H15NO3 — CID 126762871

IUPACN-[3-(methoxymethoxy)butan-2-yl]formamide
SMILESCOCOC(C)C(C)NC=O
InChIInChI=1S/C7H15NO3/c1-6(8-4-9)7(2)11-5-10-3/h4,6-7H,5H2,1-3H3,(H,8,9)
InChIKeyDBSWUTYCCRUJKA-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.13
Rot. Bonds6

About N-[3-(methoxymethoxy)butan-2-yl]formamide

N-[3-(methoxymethoxy)butan-2-yl]formamide (PubChem CID 126762871) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-[3-(methoxymethoxy)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[3-(methoxymethoxy)butan-2-yl]formamide
PubChem CID126762871
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN-[3-(methoxymethoxy)butan-2-yl]formamide
SMILESCOCOC(C)C(C)NC=O
InChIInChI=1S/C7H15NO3/c1-6(8-4-9)7(2)11-5-10-3/h4,6-7H,5H2,1-3H3,(H,8,9)
InChIKeyDBSWUTYCCRUJKA-UHFFFAOYSA-N
XLogP0.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[3-(methoxymethoxy)butan-2-yl]formamide?
The IUPAC name of N-[3-(methoxymethoxy)butan-2-yl]formamide (CID 126762871) is N-[3-(methoxymethoxy)butan-2-yl]formamide.
What is the SMILES notation for N-[3-(methoxymethoxy)butan-2-yl]formamide?
The canonical SMILES for N-[3-(methoxymethoxy)butan-2-yl]formamide is COCOC(C)C(C)NC=O.
What is the InChIKey of N-[3-(methoxymethoxy)butan-2-yl]formamide?
The InChIKey is DBSWUTYCCRUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(8-4-9)7(2)11-5-10-3/h4,6-7H,5H2,1-3H3,(H,8,9).
What are the key properties of N-[3-(methoxymethoxy)butan-2-yl]formamide?
N-[3-(methoxymethoxy)butan-2-yl]formamide has a molecular weight of 161.20 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethoxy)butan-2-yl]formamide is sourced from PubChem (CID 126762871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).