N-methoxy-N-methyl-4-propan-2-yloxybutanamide

C9H19NO3 — CID 58139932

IUPACN-methoxy-N-methyl-4-propan-2-yloxybutanamide
SMILESCON(C)C(=O)CCCOC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)13-7-5-6-9(11)10(3)12-4/h8H,5-7H2,1-4H3
InChIKeyDGINYOJZHRBSLI-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.21
Rot. Bonds6

About N-methoxy-N-methyl-4-propan-2-yloxybutanamide

N-methoxy-N-methyl-4-propan-2-yloxybutanamide (PubChem CID 58139932) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-propan-2-yloxybutanamide
PubChem CID58139932
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-methoxy-N-methyl-4-propan-2-yloxybutanamide
SMILESCON(C)C(=O)CCCOC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)13-7-5-6-9(11)10(3)12-4/h8H,5-7H2,1-4H3
InChIKeyDGINYOJZHRBSLI-UHFFFAOYSA-N
XLogP1.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methoxy-N-methyl-4-propan-2-yloxybutanamide?
The IUPAC name of N-methoxy-N-methyl-4-propan-2-yloxybutanamide (CID 58139932) is N-methoxy-N-methyl-4-propan-2-yloxybutanamide.
What is the SMILES notation for N-methoxy-N-methyl-4-propan-2-yloxybutanamide?
The canonical SMILES for N-methoxy-N-methyl-4-propan-2-yloxybutanamide is CON(C)C(=O)CCCOC(C)C.
What is the InChIKey of N-methoxy-N-methyl-4-propan-2-yloxybutanamide?
The InChIKey is DGINYOJZHRBSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2)13-7-5-6-9(11)10(3)12-4/h8H,5-7H2,1-4H3.
What are the key properties of N-methoxy-N-methyl-4-propan-2-yloxybutanamide?
N-methoxy-N-methyl-4-propan-2-yloxybutanamide has a molecular weight of 189.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-propan-2-yloxybutanamide is sourced from PubChem (CID 58139932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).