2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide

C9H18N2O — CID 59962239

IUPAC2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
SMILESC=CCN(C)CC(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-11(4)7-9(12)10-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyNURJVZAEDLALGQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds5

About 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide

2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide (PubChem CID 59962239) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
PubChem CID59962239
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
SMILESC=CCN(C)CC(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-11(4)7-9(12)10-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyNURJVZAEDLALGQ-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide (CID 59962239) is 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide is C=CCN(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
The InChIKey is NURJVZAEDLALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-11(4)7-9(12)10-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,10,12).
What are the key properties of 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 59962239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).