2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide

C13H15NO3 — CID 47366118

IUPAC2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1OCCOC
InChIInChI=1S/C13H15NO3/c1-3-8-14-13(15)11-6-4-5-7-12(11)17-10-9-16-2/h1,4-7H,8-10H2,2H3,(H,14,15)
InChIKeyMFRITQJZMMSDAI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.07
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide

2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide (PubChem CID 47366118) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
PubChem CID47366118
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1OCCOC
InChIInChI=1S/C13H15NO3/c1-3-8-14-13(15)11-6-4-5-7-12(11)17-10-9-16-2/h1,4-7H,8-10H2,2H3,(H,14,15)
InChIKeyMFRITQJZMMSDAI-UHFFFAOYSA-N
XLogP1.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-iodo-N-prop-2-ynylbenzamide
CID 18110013
2-propoxy-N-propylbenzamide
CID 58831728
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
N'-(4-fluorobenzoyl)-2-(2-methoxyethoxy)benzohydrazide
CID 86827465
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide (CID 47366118) is 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccccc1OCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
The InChIKey is MFRITQJZMMSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-8-14-13(15)11-6-4-5-7-12(11)17-10-9-16-2/h1,4-7H,8-10H2,2H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 47366118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).