N-butan-2-yl-2-propan-2-ylbut-3-enamide

C11H21NO — CID 140656155

IUPACN-butan-2-yl-2-propan-2-ylbut-3-enamide
SMILESC=CC(C(=O)NC(C)CC)C(C)C
InChIInChI=1S/C11H21NO/c1-6-9(5)12-11(13)10(7-2)8(3)4/h7-10H,2,6H2,1,3-5H3,(H,12,13)
InChIKeyXONXOCKHWMBFPQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds5

About N-butan-2-yl-2-propan-2-ylbut-3-enamide

N-butan-2-yl-2-propan-2-ylbut-3-enamide (PubChem CID 140656155) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-butan-2-yl-2-propan-2-ylbut-3-enamide.

Molecular Properties

Compound NameN-butan-2-yl-2-propan-2-ylbut-3-enamide
PubChem CID140656155
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-butan-2-yl-2-propan-2-ylbut-3-enamide
SMILESC=CC(C(=O)NC(C)CC)C(C)C
InChIInChI=1S/C11H21NO/c1-6-9(5)12-11(13)10(7-2)8(3)4/h7-10H,2,6H2,1,3-5H3,(H,12,13)
InChIKeyXONXOCKHWMBFPQ-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-butan-2-yl-2-propan-2-ylbut-3-enamide?
The IUPAC name of N-butan-2-yl-2-propan-2-ylbut-3-enamide (CID 140656155) is N-butan-2-yl-2-propan-2-ylbut-3-enamide.
What is the SMILES notation for N-butan-2-yl-2-propan-2-ylbut-3-enamide?
The canonical SMILES for N-butan-2-yl-2-propan-2-ylbut-3-enamide is C=CC(C(=O)NC(C)CC)C(C)C.
What is the InChIKey of N-butan-2-yl-2-propan-2-ylbut-3-enamide?
The InChIKey is XONXOCKHWMBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9(5)12-11(13)10(7-2)8(3)4/h7-10H,2,6H2,1,3-5H3,(H,12,13).
What are the key properties of N-butan-2-yl-2-propan-2-ylbut-3-enamide?
N-butan-2-yl-2-propan-2-ylbut-3-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-propan-2-ylbut-3-enamide is sourced from PubChem (CID 140656155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).