N,N-diethyl-2-methylbut-3-enamide

C9H17NO — CID 56988880

IUPACN,N-diethyl-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h5,8H,1,6-7H2,2-4H3
InChIKeyWOCRNRCSTIXFEE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds4

About N,N-diethyl-2-methylbut-3-enamide

N,N-diethyl-2-methylbut-3-enamide (PubChem CID 56988880) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N-diethyl-2-methylbut-3-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-methylbut-3-enamide
PubChem CID56988880
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,N-diethyl-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h5,8H,1,6-7H2,2-4H3
InChIKeyWOCRNRCSTIXFEE-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-methylbut-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylbut-3-enamide?
The IUPAC name of N,N-diethyl-2-methylbut-3-enamide (CID 56988880) is N,N-diethyl-2-methylbut-3-enamide.
What is the SMILES notation for N,N-diethyl-2-methylbut-3-enamide?
The canonical SMILES for N,N-diethyl-2-methylbut-3-enamide is C=CC(C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylbut-3-enamide?
The InChIKey is WOCRNRCSTIXFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N,N-diethyl-2-methylbut-3-enamide?
N,N-diethyl-2-methylbut-3-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylbut-3-enamide is sourced from PubChem (CID 56988880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).