2,3-dimethyl-N-(3-methylbutyl)but-2-enamide

C11H21NO — CID 123784309

IUPAC2,3-dimethyl-N-(3-methylbutyl)but-2-enamide
SMILESCC(C)=C(C)C(=O)NCCC(C)C
InChIInChI=1S/C11H21NO/c1-8(2)6-7-12-11(13)10(5)9(3)4/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyPZMZSWQEIOBFDW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds4

About 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide

2,3-dimethyl-N-(3-methylbutyl)but-2-enamide (PubChem CID 123784309) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylbutyl)but-2-enamide
PubChem CID123784309
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,3-dimethyl-N-(3-methylbutyl)but-2-enamide
SMILESCC(C)=C(C)C(=O)NCCC(C)C
InChIInChI=1S/C11H21NO/c1-8(2)6-7-12-11(13)10(5)9(3)4/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyPZMZSWQEIOBFDW-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
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 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide?
The IUPAC name of 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide (CID 123784309) is 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide?
The canonical SMILES for 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide is CC(C)=C(C)C(=O)NCCC(C)C.
What is the InChIKey of 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide?
The InChIKey is PZMZSWQEIOBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)6-7-12-11(13)10(5)9(3)4/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide?
2,3-dimethyl-N-(3-methylbutyl)but-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylbutyl)but-2-enamide is sourced from PubChem (CID 123784309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).