N,2-dimethyl-N-propylprop-2-enamide

C8H15NO — CID 22568331

IUPACN,2-dimethyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC
InChIInChI=1S/C8H15NO/c1-5-6-9(4)8(10)7(2)3/h2,5-6H2,1,3-4H3
InChIKeyFQHWUJXEEPFXQO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds3

About N,2-dimethyl-N-propylprop-2-enamide

N,2-dimethyl-N-propylprop-2-enamide (PubChem CID 22568331) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N,2-dimethyl-N-propylprop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-propylprop-2-enamide
PubChem CID22568331
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN,2-dimethyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC
InChIInChI=1S/C8H15NO/c1-5-6-9(4)8(10)7(2)3/h2,5-6H2,1,3-4H3
InChIKeyFQHWUJXEEPFXQO-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propylprop-2-enamide?
The IUPAC name of N,2-dimethyl-N-propylprop-2-enamide (CID 22568331) is N,2-dimethyl-N-propylprop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-propylprop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-propylprop-2-enamide is C=C(C)C(=O)N(C)CCC.
What is the InChIKey of N,2-dimethyl-N-propylprop-2-enamide?
The InChIKey is FQHWUJXEEPFXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-9(4)8(10)7(2)3/h2,5-6H2,1,3-4H3.
What are the key properties of N,2-dimethyl-N-propylprop-2-enamide?
N,2-dimethyl-N-propylprop-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propylprop-2-enamide is sourced from PubChem (CID 22568331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).