N-formyl-N-methoxybutanamide

C6H11NO3 — CID 89360816

IUPACN-formyl-N-methoxybutanamide
SMILESCCCC(=O)N(C=O)OC
InChIInChI=1S/C6H11NO3/c1-3-4-6(9)7(5-8)10-2/h5H,3-4H2,1-2H3
InChIKeyKYRGOBZPNWAALF-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.33
Rot. Bonds4

About N-formyl-N-methoxybutanamide

N-formyl-N-methoxybutanamide (PubChem CID 89360816) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-formyl-N-methoxybutanamide.

Molecular Properties

Compound NameN-formyl-N-methoxybutanamide
PubChem CID89360816
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-formyl-N-methoxybutanamide
SMILESCCCC(=O)N(C=O)OC
InChIInChI=1S/C6H11NO3/c1-3-4-6(9)7(5-8)10-2/h5H,3-4H2,1-2H3
InChIKeyKYRGOBZPNWAALF-UHFFFAOYSA-N
XLogP0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-methoxybutanamide?
The IUPAC name of N-formyl-N-methoxybutanamide (CID 89360816) is N-formyl-N-methoxybutanamide.
What is the SMILES notation for N-formyl-N-methoxybutanamide?
The canonical SMILES for N-formyl-N-methoxybutanamide is CCCC(=O)N(C=O)OC.
What is the InChIKey of N-formyl-N-methoxybutanamide?
The InChIKey is KYRGOBZPNWAALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-4-6(9)7(5-8)10-2/h5H,3-4H2,1-2H3.
What are the key properties of N-formyl-N-methoxybutanamide?
N-formyl-N-methoxybutanamide has a molecular weight of 145.16 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methoxybutanamide is sourced from PubChem (CID 89360816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).