3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide

C15H21NO3 — CID 103957600

IUPAC3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
SMILESCOCCC1(CNC(=O)c2ccc(C)c(O)c2)CC1
InChIInChI=1S/C15H21NO3/c1-11-3-4-12(9-13(11)17)14(18)16-10-15(5-6-15)7-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyIQXLTFPSIHKRID-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.25
Rot. Bonds6

About 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide

3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide (PubChem CID 103957600) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
PubChem CID103957600
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
SMILESCOCCC1(CNC(=O)c2ccc(C)c(O)c2)CC1
InChIInChI=1S/C15H21NO3/c1-11-3-4-12(9-13(11)17)14(18)16-10-15(5-6-15)7-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyIQXLTFPSIHKRID-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801674
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 103804726
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide (CID 103957600) is 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide is COCCC1(CNC(=O)c2ccc(C)c(O)c2)CC1.
What is the InChIKey of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide?
The InChIKey is IQXLTFPSIHKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-3-4-12(9-13(11)17)14(18)16-10-15(5-6-15)7-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide?
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 103957600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).