N-(3-butoxypropyl)-3,3-dimethylbutanamide

C13H27NO2 — CID 2164669

IUPACN-(3-butoxypropyl)-3,3-dimethylbutanamide
SMILESCCCCOCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-9-16-10-7-8-14-12(15)11-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
InChIKeyZGRSBMNHVHAYMZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.75
Rot. Bonds8

About N-(3-butoxypropyl)-3,3-dimethylbutanamide

N-(3-butoxypropyl)-3,3-dimethylbutanamide (PubChem CID 2164669) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3,3-dimethylbutanamide
PubChem CID2164669
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-butoxypropyl)-3,3-dimethylbutanamide
SMILESCCCCOCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-9-16-10-7-8-14-12(15)11-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
InChIKeyZGRSBMNHVHAYMZ-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-butoxypropyl)-3,3-dimethylbutanamide 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 N-(3-butoxypropyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-butoxypropyl)-3,3-dimethylbutanamide (CID 2164669) is N-(3-butoxypropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-butoxypropyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-butoxypropyl)-3,3-dimethylbutanamide is CCCCOCCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-(3-butoxypropyl)-3,3-dimethylbutanamide?
The InChIKey is ZGRSBMNHVHAYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-9-16-10-7-8-14-12(15)11-13(2,3)4/h5-11H2,1-4H3,(H,14,15).
What are the key properties of N-(3-butoxypropyl)-3,3-dimethylbutanamide?
N-(3-butoxypropyl)-3,3-dimethylbutanamide has a molecular weight of 229.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 2164669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).