2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide

C12H23NO2 — CID 146338624

IUPAC2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide
SMILESC=C(C)CCNC(=O)C(C)(C)OCCC
InChIInChI=1S/C12H23NO2/c1-6-9-15-12(4,5)11(14)13-8-7-10(2)3/h2,6-9H2,1,3-5H3,(H,13,14)
InChIKeyRRQUQJNFMSLMOI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds7

About 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide

2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide (PubChem CID 146338624) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide
PubChem CID146338624
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide
SMILESC=C(C)CCNC(=O)C(C)(C)OCCC
InChIInChI=1S/C12H23NO2/c1-6-9-15-12(4,5)11(14)13-8-7-10(2)3/h2,6-9H2,1,3-5H3,(H,13,14)
InChIKeyRRQUQJNFMSLMOI-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide?
The IUPAC name of 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide (CID 146338624) is 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide.
What is the SMILES notation for 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide?
The canonical SMILES for 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide is C=C(C)CCNC(=O)C(C)(C)OCCC.
What is the InChIKey of 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide?
The InChIKey is RRQUQJNFMSLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-9-15-12(4,5)11(14)13-8-7-10(2)3/h2,6-9H2,1,3-5H3,(H,13,14).
What are the key properties of 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide?
2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide has a molecular weight of 213.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-3-enyl)-2-propoxypropanamide is sourced from PubChem (CID 146338624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).