N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide

C11H22N2O — CID 89041904

IUPACN-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
SMILESC=CN(CN(C(C)=O)C(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-7-12(9(2)3)8-13(10(4)5)11(6)14/h7,9-10H,1,8H2,2-6H3
InChIKeyOKVPXXXRKDJWQI-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.05
Rot. Bonds5

About N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide

N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide (PubChem CID 89041904) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
PubChem CID89041904
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide
SMILESC=CN(CN(C(C)=O)C(C)C)C(C)C
InChIInChI=1S/C11H22N2O/c1-7-12(9(2)3)8-13(10(4)5)11(6)14/h7,9-10H,1,8H2,2-6H3
InChIKeyOKVPXXXRKDJWQI-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide (CID 89041904) is N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide is C=CN(CN(C(C)=O)C(C)C)C(C)C.
What is the InChIKey of N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
The InChIKey is OKVPXXXRKDJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-12(9(2)3)8-13(10(4)5)11(6)14/h7,9-10H,1,8H2,2-6H3.
What are the key properties of N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide?
N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide has a molecular weight of 198.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethenyl(propan-2-yl)amino]methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 89041904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).