N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide

C13H26N2O — CID 89057682

IUPACN-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CN(C=C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)8-14(11(3)4)9-15(12(5)6)13(7)16/h8,11-12H,9H2,1-7H3
InChIKeyUAIACGNQKQULIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.83
Rot. Bonds5

About N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide

N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide (PubChem CID 89057682) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
PubChem CID89057682
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CN(C=C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)8-14(11(3)4)9-15(12(5)6)13(7)16/h8,11-12H,9H2,1-7H3
InChIKeyUAIACGNQKQULIE-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide 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-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide (CID 89057682) is N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide is CC(=O)N(CN(C=C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
The InChIKey is UAIACGNQKQULIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-14(11(3)4)9-15(12(5)6)13(7)16/h8,11-12H,9H2,1-7H3.
What are the key properties of N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methylprop-1-enyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 89057682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).