N,N-diethyl-4-methoxybutanamide

C9H19NO2 — CID 112729057

IUPACN,N-diethyl-4-methoxybutanamide
SMILESCCN(CC)C(=O)CCCOC
InChIInChI=1S/C9H19NO2/c1-4-10(5-2)9(11)7-6-8-12-3/h4-8H2,1-3H3
InChIKeyJENORNCLJIHLTM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds6

About N,N-diethyl-4-methoxybutanamide

N,N-diethyl-4-methoxybutanamide (PubChem CID 112729057) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-diethyl-4-methoxybutanamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxybutanamide
PubChem CID112729057
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN,N-diethyl-4-methoxybutanamide
SMILESCCN(CC)C(=O)CCCOC
InChIInChI=1S/C9H19NO2/c1-4-10(5-2)9(11)7-6-8-12-3/h4-8H2,1-3H3
InChIKeyJENORNCLJIHLTM-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N-diethyl-4-methoxybutanamide?
The IUPAC name of N,N-diethyl-4-methoxybutanamide (CID 112729057) is N,N-diethyl-4-methoxybutanamide.
What is the SMILES notation for N,N-diethyl-4-methoxybutanamide?
The canonical SMILES for N,N-diethyl-4-methoxybutanamide is CCN(CC)C(=O)CCCOC.
What is the InChIKey of N,N-diethyl-4-methoxybutanamide?
The InChIKey is JENORNCLJIHLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-10(5-2)9(11)7-6-8-12-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-4-methoxybutanamide?
N,N-diethyl-4-methoxybutanamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxybutanamide is sourced from PubChem (CID 112729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).