N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide

C12H23NO2 — CID 126606826

IUPACN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-7-10(14)13-12(5,6)8-9-15-11(2,3)4/h7H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyFVQJBZLTPLMJIR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds5

About N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide

N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide (PubChem CID 126606826) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
PubChem CID126606826
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-7-10(14)13-12(5,6)8-9-15-11(2,3)4/h7H,1,8-9H2,2-6H3,(H,13,14)
InChIKeyFVQJBZLTPLMJIR-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide (CID 126606826) is N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(C)CCOC(C)(C)C.
What is the InChIKey of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
The InChIKey is FVQJBZLTPLMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-10(14)13-12(5,6)8-9-15-11(2,3)4/h7H,1,8-9H2,2-6H3,(H,13,14).
What are the key properties of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide?
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide is sourced from PubChem (CID 126606826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).