2-methyl-N-(2-propoxyethyl)prop-2-enamide

C9H17NO2 — CID 58779506

IUPAC2-methyl-N-(2-propoxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCC
InChIInChI=1S/C9H17NO2/c1-4-6-12-7-5-10-9(11)8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyWREXCGYNGDVDKO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds6

About 2-methyl-N-(2-propoxyethyl)prop-2-enamide

2-methyl-N-(2-propoxyethyl)prop-2-enamide (PubChem CID 58779506) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-(2-propoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-propoxyethyl)prop-2-enamide
PubChem CID58779506
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-N-(2-propoxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCC
InChIInChI=1S/C9H17NO2/c1-4-6-12-7-5-10-9(11)8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyWREXCGYNGDVDKO-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propoxyethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-propoxyethyl)prop-2-enamide (CID 58779506) is 2-methyl-N-(2-propoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-propoxyethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-propoxyethyl)prop-2-enamide is C=C(C)C(=O)NCCOCCC.
What is the InChIKey of 2-methyl-N-(2-propoxyethyl)prop-2-enamide?
The InChIKey is WREXCGYNGDVDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-12-7-5-10-9(11)8(2)3/h2,4-7H2,1,3H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-propoxyethyl)prop-2-enamide?
2-methyl-N-(2-propoxyethyl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propoxyethyl)prop-2-enamide is sourced from PubChem (CID 58779506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).