2-methyl-N-propoxyprop-2-enamide

C7H13NO2 — CID 20537277

IUPAC2-methyl-N-propoxyprop-2-enamide
SMILESC=C(C)C(=O)NOCCC
InChIInChI=1S/C7H13NO2/c1-4-5-10-8-7(9)6(2)3/h2,4-5H2,1,3H3,(H,8,9)
InChIKeyZGRUJQVDNZBERJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.02
Rot. Bonds4

About 2-methyl-N-propoxyprop-2-enamide

2-methyl-N-propoxyprop-2-enamide (PubChem CID 20537277) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methyl-N-propoxyprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-propoxyprop-2-enamide
PubChem CID20537277
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methyl-N-propoxyprop-2-enamide
SMILESC=C(C)C(=O)NOCCC
InChIInChI=1S/C7H13NO2/c1-4-5-10-8-7(9)6(2)3/h2,4-5H2,1,3H3,(H,8,9)
InChIKeyZGRUJQVDNZBERJ-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.02
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propoxyprop-2-enamide?
The IUPAC name of 2-methyl-N-propoxyprop-2-enamide (CID 20537277) is 2-methyl-N-propoxyprop-2-enamide.
What is the SMILES notation for 2-methyl-N-propoxyprop-2-enamide?
The canonical SMILES for 2-methyl-N-propoxyprop-2-enamide is C=C(C)C(=O)NOCCC.
What is the InChIKey of 2-methyl-N-propoxyprop-2-enamide?
The InChIKey is ZGRUJQVDNZBERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-10-8-7(9)6(2)3/h2,4-5H2,1,3H3,(H,8,9).
What are the key properties of 2-methyl-N-propoxyprop-2-enamide?
2-methyl-N-propoxyprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propoxyprop-2-enamide is sourced from PubChem (CID 20537277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).