N-(3-methyl-3-propoxybutyl)prop-2-enamide

C11H21NO2 — CID 156710759

IUPACN-(3-methyl-3-propoxybutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)OCCC
InChIInChI=1S/C11H21NO2/c1-5-9-14-11(3,4)7-8-12-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13)
InChIKeyVYVNVJDMOHZGPU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds7

About N-(3-methyl-3-propoxybutyl)prop-2-enamide

N-(3-methyl-3-propoxybutyl)prop-2-enamide (PubChem CID 156710759) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3-methyl-3-propoxybutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-3-propoxybutyl)prop-2-enamide
PubChem CID156710759
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3-methyl-3-propoxybutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)OCCC
InChIInChI=1S/C11H21NO2/c1-5-9-14-11(3,4)7-8-12-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13)
InChIKeyVYVNVJDMOHZGPU-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
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-(3-methyl-3-propoxybutyl)prop-2-enamide?
The IUPAC name of N-(3-methyl-3-propoxybutyl)prop-2-enamide (CID 156710759) is N-(3-methyl-3-propoxybutyl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-3-propoxybutyl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-3-propoxybutyl)prop-2-enamide is C=CC(=O)NCCC(C)(C)OCCC.
What is the InChIKey of N-(3-methyl-3-propoxybutyl)prop-2-enamide?
The InChIKey is VYVNVJDMOHZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9-14-11(3,4)7-8-12-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13).
What are the key properties of N-(3-methyl-3-propoxybutyl)prop-2-enamide?
N-(3-methyl-3-propoxybutyl)prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-propoxybutyl)prop-2-enamide is sourced from PubChem (CID 156710759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).