N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide

C11H21NO2 — CID 89093024

IUPACN-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide
SMILESC=CCOC(C(=O)NCC)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-8-14-9(11(3,4)5)10(13)12-7-2/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyPNZJENGYJQVYLW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds5

About N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide

N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide (PubChem CID 89093024) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide
PubChem CID89093024
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide
SMILESC=CCOC(C(=O)NCC)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-8-14-9(11(3,4)5)10(13)12-7-2/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyPNZJENGYJQVYLW-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
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 N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide?
The IUPAC name of N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide (CID 89093024) is N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide is C=CCOC(C(=O)NCC)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide?
The InChIKey is PNZJENGYJQVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-8-14-9(11(3,4)5)10(13)12-7-2/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide?
N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide has a molecular weight of 199.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide is sourced from PubChem (CID 89093024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).