(E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide

C10H19NO2 — CID 80709338

IUPAC(E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide
SMILESC/C=C/C(=O)N(C)CCOC(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-10(12)11(4)7-8-13-9(2)3/h5-6,9H,7-8H2,1-4H3/b6-5+
InChIKeyBJUBEULATHEYCJ-AATRIKPKSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds5

About (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide

(E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide (PubChem CID 80709338) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide
PubChem CID80709338
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide
SMILESC/C=C/C(=O)N(C)CCOC(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-10(12)11(4)7-8-13-9(2)3/h5-6,9H,7-8H2,1-4H3/b6-5+
InChIKeyBJUBEULATHEYCJ-AATRIKPKSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
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 (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide?
The IUPAC name of (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide (CID 80709338) is (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide?
The canonical SMILES for (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide is C/C=C/C(=O)N(C)CCOC(C)C.
What is the InChIKey of (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide?
The InChIKey is BJUBEULATHEYCJ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-10(12)11(4)7-8-13-9(2)3/h5-6,9H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide?
(E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide is sourced from PubChem (CID 80709338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).