(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide

C13H25NO3 — CID 21060468

IUPAC(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide
SMILESCOCCN(CCOC)C(=O)/C=C/C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)7-6-12(15)14(8-10-16-4)9-11-17-5/h6-7H,8-11H2,1-5H3/b7-6+
InChIKeyUZCSVTXNKIYDKL-VOTSOKGWSA-N
MW243.35 g/mol
LogP1.71
Rot. Bonds7

About (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide

(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide (PubChem CID 21060468) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide
PubChem CID21060468
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide
SMILESCOCCN(CCOC)C(=O)/C=C/C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)7-6-12(15)14(8-10-16-4)9-11-17-5/h6-7H,8-11H2,1-5H3/b7-6+
InChIKeyUZCSVTXNKIYDKL-VOTSOKGWSA-N
XLogP1.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 12185745
CID 12185745
CID 102594206
CID 102594206
CID 135042779
CID 135042779
CID 5787521
CID 5787521
CID 13618235
CID 13618235
CID 21060133
CID 21060133
CID 21060374
CID 21060374
CID 21060446
CID 21060446
CID 21060447
CID 21060447
CID 66630406
CID 66630406
CID 88882287
CID 88882287
CID 123476236
CID 123476236

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide (CID 21060468) is (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide is COCCN(CCOC)C(=O)/C=C/C(C)(C)C.
What is the InChIKey of (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
The InChIKey is UZCSVTXNKIYDKL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)7-6-12(15)14(8-10-16-4)9-11-17-5/h6-7H,8-11H2,1-5H3/b7-6+.
What are the key properties of (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
(E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methoxyethyl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 21060468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).