2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide

C9H20N2O2 — CID 81081948

IUPAC2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)C(N)COC
InChIInChI=1S/C9H20N2O2/c1-5-7(2)11(3)9(12)8(10)6-13-4/h7-8H,5-6,10H2,1-4H3
InChIKeyVBXBTRNJXZLGIH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds5

About 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide

2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide (PubChem CID 81081948) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide
PubChem CID81081948
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)C(N)COC
InChIInChI=1S/C9H20N2O2/c1-5-7(2)11(3)9(12)8(10)6-13-4/h7-8H,5-6,10H2,1-4H3
InChIKeyVBXBTRNJXZLGIH-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide 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 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide (CID 81081948) is 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide is CCC(C)N(C)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide?
The InChIKey is VBXBTRNJXZLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-7(2)11(3)9(12)8(10)6-13-4/h7-8H,5-6,10H2,1-4H3.
What are the key properties of 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide?
2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide has a molecular weight of 188.27 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 81081948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).