N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide

C12H22N2O2 — CID 20673045

IUPACN,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide
SMILESC=C(C)C(=O)NC(C)(C)C(=O)N(C)CCC
InChIInChI=1S/C12H22N2O2/c1-7-8-14(6)11(16)12(4,5)13-10(15)9(2)3/h2,7-8H2,1,3-6H3,(H,13,15)
InChIKeyOTOCFGUISJPIKT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.33
Rot. Bonds5

About N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide

N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide (PubChem CID 20673045) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide
PubChem CID20673045
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide
SMILESC=C(C)C(=O)NC(C)(C)C(=O)N(C)CCC
InChIInChI=1S/C12H22N2O2/c1-7-8-14(6)11(16)12(4,5)13-10(15)9(2)3/h2,7-8H2,1,3-6H3,(H,13,15)
InChIKeyOTOCFGUISJPIKT-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide?
The IUPAC name of N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide (CID 20673045) is N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide.
What is the SMILES notation for N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide?
The canonical SMILES for N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide is C=C(C)C(=O)NC(C)(C)C(=O)N(C)CCC.
What is the InChIKey of N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide?
The InChIKey is OTOCFGUISJPIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7-8-14(6)11(16)12(4,5)13-10(15)9(2)3/h2,7-8H2,1,3-6H3,(H,13,15).
What are the key properties of N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide?
N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2-methylprop-2-enoylamino)-N-propylpropanamide is sourced from PubChem (CID 20673045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).