3-ethoxy-2-methyl-N-propan-2-ylpropanamide

C9H19NO2 — CID 58871566

IUPAC3-ethoxy-2-methyl-N-propan-2-ylpropanamide
SMILESCCOCC(C)C(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-5-12-6-8(4)9(11)10-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyRAJDWZKUXAMKBY-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.18
Rot. Bonds5

About 3-ethoxy-2-methyl-N-propan-2-ylpropanamide

3-ethoxy-2-methyl-N-propan-2-ylpropanamide (PubChem CID 58871566) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-ethoxy-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-ethoxy-2-methyl-N-propan-2-ylpropanamide
PubChem CID58871566
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-ethoxy-2-methyl-N-propan-2-ylpropanamide
SMILESCCOCC(C)C(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-5-12-6-8(4)9(11)10-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyRAJDWZKUXAMKBY-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-ethoxy-2-methyl-N-propan-2-ylpropanamide (CID 58871566) is 3-ethoxy-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-ethoxy-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-ethoxy-2-methyl-N-propan-2-ylpropanamide is CCOCC(C)C(=O)NC(C)C.
What is the InChIKey of 3-ethoxy-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is RAJDWZKUXAMKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-12-6-8(4)9(11)10-7(2)3/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 3-ethoxy-2-methyl-N-propan-2-ylpropanamide?
3-ethoxy-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 58871566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).