2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide

C10H19NO — CID 19601176

IUPAC2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)CCC
InChIInChI=1S/C10H19NO/c1-6-7-10(4,5)11-9(12)8(2)3/h2,6-7H2,1,3-5H3,(H,11,12)
InChIKeyAUWAXXPLALBQPI-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide

2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide (PubChem CID 19601176) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide
PubChem CID19601176
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)CCC
InChIInChI=1S/C10H19NO/c1-6-7-10(4,5)11-9(12)8(2)3/h2,6-7H2,1,3-5H3,(H,11,12)
InChIKeyAUWAXXPLALBQPI-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide (CID 19601176) is 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide is C=C(C)C(=O)NC(C)(C)CCC.
What is the InChIKey of 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide?
The InChIKey is AUWAXXPLALBQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-7-10(4,5)11-9(12)8(2)3/h2,6-7H2,1,3-5H3,(H,11,12).
What are the key properties of 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide?
2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 19601176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).