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

C12H13NO2 — CID 51219689

IUPAC3-(methoxymethyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(COC)c1
InChIInChI=1S/C12H13NO2/c1-3-7-13-12(14)11-6-4-5-10(8-11)9-15-2/h1,4-6,8H,7,9H2,2H3,(H,13,14)
InChIKeyJQKCKGPQUZLGHY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.20
Rot. Bonds4

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

3-(methoxymethyl)-N-prop-2-ynylbenzamide (PubChem CID 51219689) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-prop-2-ynylbenzamide
PubChem CID51219689
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(methoxymethyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(COC)c1
InChIInChI=1S/C12H13NO2/c1-3-7-13-12(14)11-6-4-5-10(8-11)9-15-2/h1,4-6,8H,7,9H2,2H3,(H,13,14)
InChIKeyJQKCKGPQUZLGHY-UHFFFAOYSA-N
XLogP1.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-prop-2-ynylbenzamide?
The IUPAC name of 3-(methoxymethyl)-N-prop-2-ynylbenzamide (CID 51219689) is 3-(methoxymethyl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-(methoxymethyl)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(COC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-prop-2-ynylbenzamide?
The InChIKey is JQKCKGPQUZLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-7-13-12(14)11-6-4-5-10(8-11)9-15-2/h1,4-6,8H,7,9H2,2H3,(H,13,14).
What are the key properties of 3-(methoxymethyl)-N-prop-2-ynylbenzamide?
3-(methoxymethyl)-N-prop-2-ynylbenzamide has a molecular weight of 203.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 51219689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).