ethane;N-methyl-N-prop-1-en-2-ylpropanamide

C11H25NO — CID 143693683

IUPACethane;N-methyl-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)N(C)C(=O)CC.CC.CC
InChIInChI=1S/C7H13NO.2C2H6/c1-5-7(9)8(4)6(2)3;2*1-2/h2,5H2,1,3-4H3;2*1-2H3
InChIKeyNYZQUZOVVPJDKY-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.44
Rot. Bonds2

About ethane;N-methyl-N-prop-1-en-2-ylpropanamide

ethane;N-methyl-N-prop-1-en-2-ylpropanamide (PubChem CID 143693683) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;N-methyl-N-prop-1-en-2-ylpropanamide.

Molecular Properties

Compound Nameethane;N-methyl-N-prop-1-en-2-ylpropanamide
PubChem CID143693683
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;N-methyl-N-prop-1-en-2-ylpropanamide
SMILESC=C(C)N(C)C(=O)CC.CC.CC
InChIInChI=1S/C7H13NO.2C2H6/c1-5-7(9)8(4)6(2)3;2*1-2/h2,5H2,1,3-4H3;2*1-2H3
InChIKeyNYZQUZOVVPJDKY-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-prop-1-en-2-ylpropanamide?
The IUPAC name of ethane;N-methyl-N-prop-1-en-2-ylpropanamide (CID 143693683) is ethane;N-methyl-N-prop-1-en-2-ylpropanamide.
What is the SMILES notation for ethane;N-methyl-N-prop-1-en-2-ylpropanamide?
The canonical SMILES for ethane;N-methyl-N-prop-1-en-2-ylpropanamide is C=C(C)N(C)C(=O)CC.CC.CC.
What is the InChIKey of ethane;N-methyl-N-prop-1-en-2-ylpropanamide?
The InChIKey is NYZQUZOVVPJDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2C2H6/c1-5-7(9)8(4)6(2)3;2*1-2/h2,5H2,1,3-4H3;2*1-2H3.
What are the key properties of ethane;N-methyl-N-prop-1-en-2-ylpropanamide?
ethane;N-methyl-N-prop-1-en-2-ylpropanamide has a molecular weight of 187.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-prop-1-en-2-ylpropanamide is sourced from PubChem (CID 143693683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).