4-ethoxy-N,N-dihexylbutanamide

C18H37NO2 — CID 91387324

IUPAC4-ethoxy-N,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCOCC
InChIInChI=1S/C18H37NO2/c1-4-7-9-11-15-19(16-12-10-8-5-2)18(20)14-13-17-21-6-3/h4-17H2,1-3H3
InChIKeySWDOXYVVTWIHBY-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.79
Rot. Bonds15

About 4-ethoxy-N,N-dihexylbutanamide

4-ethoxy-N,N-dihexylbutanamide (PubChem CID 91387324) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-ethoxy-N,N-dihexylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dihexylbutanamide
PubChem CID91387324
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name4-ethoxy-N,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCOCC
InChIInChI=1S/C18H37NO2/c1-4-7-9-11-15-19(16-12-10-8-5-2)18(20)14-13-17-21-6-3/h4-17H2,1-3H3
InChIKeySWDOXYVVTWIHBY-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N,N-dihexylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-Dihexyl-4-hydroxybutanamide
CID 71407073
Succinic acid, monoamide, N,N-dihexyl-, isobutyl ester
CID 91701687
Succinic acid, monoamide, N,N-diheptyl-, isobutyl ester
CID 91701696
Succinic acid, monoamide, N,N-dihexyl-, butyl ester
CID 91702088
Succinic acid, monoamide, N,N-dihexyl-, propyl ester
CID 91702548
Succinic acid, monoamide, N,N-diheptyl-, propyl ester
CID 91702552
Succinic acid, monoamide, N,N-dioctyl-, propyl ester
CID 91702582
Succinic acid, monoamide, N,N-dihexyl-, hexyl ester
CID 91702943
Succinic acid, monoamide, N,N-dihexyl-, pentyl ester
CID 91702946
Succinic acid, monoamide, N,N-diheptyl-, butyl ester
CID 91702988
Succinic acid, monoamide, N,N-diheptyl-, pentyl ester
CID 91702989
Succinic acid, monoamide, N,N-dioctyl-, butyl ester
CID 91703001

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dihexylbutanamide?
The IUPAC name of 4-ethoxy-N,N-dihexylbutanamide (CID 91387324) is 4-ethoxy-N,N-dihexylbutanamide.
What is the SMILES notation for 4-ethoxy-N,N-dihexylbutanamide?
The canonical SMILES for 4-ethoxy-N,N-dihexylbutanamide is CCCCCCN(CCCCCC)C(=O)CCCOCC.
What is the InChIKey of 4-ethoxy-N,N-dihexylbutanamide?
The InChIKey is SWDOXYVVTWIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-7-9-11-15-19(16-12-10-8-5-2)18(20)14-13-17-21-6-3/h4-17H2,1-3H3.
What are the key properties of 4-ethoxy-N,N-dihexylbutanamide?
4-ethoxy-N,N-dihexylbutanamide has a molecular weight of 299.50 g/mol, XLogP of 4.79, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dihexylbutanamide is sourced from PubChem (CID 91387324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).