N-(2-methoxyethyl)-N-methylbut-2-ynamide

C8H13NO2 — CID 131224472

IUPACN-(2-methoxyethyl)-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)CCOC
InChIInChI=1S/C8H13NO2/c1-4-5-8(10)9(2)6-7-11-3/h6-7H2,1-3H3
InChIKeyCUFRVSQPVDSPIV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.11
Rot. Bonds3

About N-(2-methoxyethyl)-N-methylbut-2-ynamide

N-(2-methoxyethyl)-N-methylbut-2-ynamide (PubChem CID 131224472) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methylbut-2-ynamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methylbut-2-ynamide
PubChem CID131224472
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(2-methoxyethyl)-N-methylbut-2-ynamide
SMILESCC#CC(=O)N(C)CCOC
InChIInChI=1S/C8H13NO2/c1-4-5-8(10)9(2)6-7-11-3/h6-7H2,1-3H3
InChIKeyCUFRVSQPVDSPIV-UHFFFAOYSA-N
XLogP0.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
N-methyl-N-(3-oxopropyl)but-2-ynamide
CID 143826585
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990936
2-[2-[but-2-ynoyl(methyl)amino]ethyl]benzoic acid
CID 107986971
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
CID 61126914

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methylbut-2-ynamide?
The IUPAC name of N-(2-methoxyethyl)-N-methylbut-2-ynamide (CID 131224472) is N-(2-methoxyethyl)-N-methylbut-2-ynamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methylbut-2-ynamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methylbut-2-ynamide is CC#CC(=O)N(C)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-N-methylbut-2-ynamide?
The InChIKey is CUFRVSQPVDSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5-8(10)9(2)6-7-11-3/h6-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methylbut-2-ynamide?
N-(2-methoxyethyl)-N-methylbut-2-ynamide has a molecular weight of 155.20 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methylbut-2-ynamide is sourced from PubChem (CID 131224472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).