2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide

C12H26N2O2 — CID 60975405

IUPAC2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNCCCCOC
InChIInChI=1S/C12H26N2O2/c1-5-12(2,3)14-11(15)10-13-8-6-7-9-16-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyRJMSPQQPXRPDES-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds9

About 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide

2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 60975405) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID60975405
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNCCCCOC
InChIInChI=1S/C12H26N2O2/c1-5-12(2,3)14-11(15)10-13-8-6-7-9-16-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKeyRJMSPQQPXRPDES-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide 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

2-amino-3,3,3-trifluoro-N-(4-methoxybutyl)-2-methylpropanamide
CID 79811317
N1-(tert-butyl)-N2-isopentyloxalamide
CID 21369917
N-tert-butyl-2-(butylamino)acetamide
CID 28573768
N-tert-butyl-2-(3-methylbutylamino)acetamide
CID 28576413
2-amino-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]acetamide
CID 60849147
2-(4-Methoxybutylamino)acetamide
CID 60975697
2-amino-N-(4-methoxybutyl)propanamide
CID 61814177
N-(4-methoxybutyl)-2-(propylamino)acetamide
CID 61814389
2-acetamido-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]acetamide
CID 86822810
4-ethoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 89003068
4-ethoxy-3-methyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 89073237
N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide
CID 153398337

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide (CID 60975405) is 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNCCCCOC.
What is the InChIKey of 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RJMSPQQPXRPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(2,3)14-11(15)10-13-8-6-7-9-16-4/h13H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide?
2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylamino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60975405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).