ethyl acetate;2-methylpropanamide

C8H17NO3 — CID 174848751

IUPACethyl acetate;2-methylpropanamide
SMILESCC(C)C(N)=O.CCOC(C)=O
InChIInChI=1S/C4H9NO.C4H8O2/c1-3(2)4(5)6;1-3-6-4(2)5/h3H,1-2H3,(H2,5,6);3H2,1-2H3
InChIKeyBPAZSTAZSKAXKT-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.70
Rot. Bonds2

About ethyl acetate;2-methylpropanamide

ethyl acetate;2-methylpropanamide (PubChem CID 174848751) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl acetate;2-methylpropanamide.

Molecular Properties

Compound Nameethyl acetate;2-methylpropanamide
PubChem CID174848751
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl acetate;2-methylpropanamide
SMILESCC(C)C(N)=O.CCOC(C)=O
InChIInChI=1S/C4H9NO.C4H8O2/c1-3(2)4(5)6;1-3-6-4(2)5/h3H,1-2H3,(H2,5,6);3H2,1-2H3
InChIKeyBPAZSTAZSKAXKT-UHFFFAOYSA-N
XLogP0.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl acetate;methanol
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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-methylpropanamide?
The IUPAC name of ethyl acetate;2-methylpropanamide (CID 174848751) is ethyl acetate;2-methylpropanamide.
What is the SMILES notation for ethyl acetate;2-methylpropanamide?
The canonical SMILES for ethyl acetate;2-methylpropanamide is CC(C)C(N)=O.CCOC(C)=O.
What is the InChIKey of ethyl acetate;2-methylpropanamide?
The InChIKey is BPAZSTAZSKAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H8O2/c1-3(2)4(5)6;1-3-6-4(2)5/h3H,1-2H3,(H2,5,6);3H2,1-2H3.
What are the key properties of ethyl acetate;2-methylpropanamide?
ethyl acetate;2-methylpropanamide has a molecular weight of 175.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-methylpropanamide is sourced from PubChem (CID 174848751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).