3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide

C13H15NO3 — CID 60567441

IUPAC3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(OCCOC)c1
InChIInChI=1S/C13H15NO3/c1-3-7-14-13(15)11-5-4-6-12(10-11)17-9-8-16-2/h1,4-6,10H,7-9H2,2H3,(H,14,15)
InChIKeyOFTHHYJWZBNGQM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.07
Rot. Bonds6

About 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide

3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide (PubChem CID 60567441) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
PubChem CID60567441
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(OCCOC)c1
InChIInChI=1S/C13H15NO3/c1-3-7-14-13(15)11-5-4-6-12(10-11)17-9-8-16-2/h1,4-6,10H,7-9H2,2H3,(H,14,15)
InChIKeyOFTHHYJWZBNGQM-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-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide (CID 60567441) is 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(OCCOC)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
The InChIKey is OFTHHYJWZBNGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-7-14-13(15)11-5-4-6-12(10-11)17-9-8-16-2/h1,4-6,10H,7-9H2,2H3,(H,14,15).
What are the key properties of 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide?
3-(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 3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 60567441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).