ethane;4-methoxy-N-methyl-N-propylbutanamide

C13H31NO2 — CID 154671217

IUPACethane;4-methoxy-N-methyl-N-propylbutanamide
SMILESCC.CC.CCCN(C)C(=O)CCCOC
InChIInChI=1S/C9H19NO2.2C2H6/c1-4-7-10(2)9(11)6-5-8-12-3;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyLWXCQQQVKQTYPJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.33
Rot. Bonds6

About ethane;4-methoxy-N-methyl-N-propylbutanamide

ethane;4-methoxy-N-methyl-N-propylbutanamide (PubChem CID 154671217) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;4-methoxy-N-methyl-N-propylbutanamide.

Molecular Properties

Compound Nameethane;4-methoxy-N-methyl-N-propylbutanamide
PubChem CID154671217
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC Nameethane;4-methoxy-N-methyl-N-propylbutanamide
SMILESCC.CC.CCCN(C)C(=O)CCCOC
InChIInChI=1S/C9H19NO2.2C2H6/c1-4-7-10(2)9(11)6-5-8-12-3;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyLWXCQQQVKQTYPJ-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;4-methoxy-N-methyl-N-propylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-methyl-N-propylbutanamide?
The IUPAC name of ethane;4-methoxy-N-methyl-N-propylbutanamide (CID 154671217) is ethane;4-methoxy-N-methyl-N-propylbutanamide.
What is the SMILES notation for ethane;4-methoxy-N-methyl-N-propylbutanamide?
The canonical SMILES for ethane;4-methoxy-N-methyl-N-propylbutanamide is CC.CC.CCCN(C)C(=O)CCCOC.
What is the InChIKey of ethane;4-methoxy-N-methyl-N-propylbutanamide?
The InChIKey is LWXCQQQVKQTYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.2C2H6/c1-4-7-10(2)9(11)6-5-8-12-3;2*1-2/h4-8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-N-methyl-N-propylbutanamide?
ethane;4-methoxy-N-methyl-N-propylbutanamide has a molecular weight of 233.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N-methyl-N-propylbutanamide is sourced from PubChem (CID 154671217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).