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

C13H25NO3 — CID 25269317

IUPACN,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide
SMILESC=CCC(C)(C)C(=O)N(CCOC)CCOC
InChIInChI=1S/C13H25NO3/c1-6-7-13(2,3)12(15)14(8-10-16-4)9-11-17-5/h6H,1,7-11H2,2-5H3
InChIKeyPQUSRDCIAFIHEL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.71
Rot. Bonds9

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

N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide (PubChem CID 25269317) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide
PubChem CID25269317
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide
SMILESC=CCC(C)(C)C(=O)N(CCOC)CCOC
InChIInChI=1S/C13H25NO3/c1-6-7-13(2,3)12(15)14(8-10-16-4)9-11-17-5/h6H,1,7-11H2,2-5H3
InChIKeyPQUSRDCIAFIHEL-UHFFFAOYSA-N
XLogP1.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980
2,3-Dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084216
(2R)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084219
3,3-Dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 54566262
4-Ethenyl-1-(2-methoxyethyl)pyrrolidin-2-one
CID 58549961
(E)-N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide
CID 87443379
N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide
CID 91060195
2,2-Diethyl-1-morpholin-4-ylpent-4-en-1-one
CID 129252517
(E,3S)-N,N-bis(2-methoxyethyl)-2,3-dimethylhex-4-enamide
CID 141256335

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide (CID 25269317) is N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide is C=CCC(C)(C)C(=O)N(CCOC)CCOC.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide?
The InChIKey is PQUSRDCIAFIHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-7-13(2,3)12(15)14(8-10-16-4)9-11-17-5/h6H,1,7-11H2,2-5H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide?
N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide has a molecular weight of 243.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2,2-dimethylpent-4-enamide is sourced from PubChem (CID 25269317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).