2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide

C11H19NO2 — CID 170379363

IUPAC2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide
SMILESC=C(C)C(=C)OCCNC(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(5)14-7-6-12-11(13)9(3)4/h9H,1,5-7H2,2-4H3,(H,12,13)
InChIKeyIWKCXVXQFWSUHK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.87
Rot. Bonds6

About 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide

2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide (PubChem CID 170379363) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide
PubChem CID170379363
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide
SMILESC=C(C)C(=C)OCCNC(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(5)14-7-6-12-11(13)9(3)4/h9H,1,5-7H2,2-4H3,(H,12,13)
InChIKeyIWKCXVXQFWSUHK-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide (CID 170379363) is 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide is C=C(C)C(=C)OCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide?
The InChIKey is IWKCXVXQFWSUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(5)14-7-6-12-11(13)9(3)4/h9H,1,5-7H2,2-4H3,(H,12,13).
What are the key properties of 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide?
2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]propanamide is sourced from PubChem (CID 170379363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).