(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide

C11H21NO — CID 134987381

IUPAC(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
SMILESC=C[C@H](C)[C@H](C)C(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-6-9(4)10(5)11(13)12(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m0/s1
InChIKeyKFLJSNLOBLSWKE-UWVGGRQHSA-N
MW183.29 g/mol
LogP2.31
Rot. Bonds5

About (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide

(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide (PubChem CID 134987381) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
PubChem CID134987381
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide
SMILESC=C[C@H](C)[C@H](C)C(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-6-9(4)10(5)11(13)12(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m0/s1
InChIKeyKFLJSNLOBLSWKE-UWVGGRQHSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-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 (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide?
The IUPAC name of (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide (CID 134987381) is (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide.
What is the SMILES notation for (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide?
The canonical SMILES for (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide is C=C[C@H](C)[C@H](C)C(=O)N(CC)CC.
What is the InChIKey of (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide?
The InChIKey is KFLJSNLOBLSWKE-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9(4)10(5)11(13)12(7-2)8-3/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide?
(2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-diethyl-2,3-dimethylpent-4-enamide is sourced from PubChem (CID 134987381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).