3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide

C9H13NO3 — CID 115138943

IUPAC3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(N(C)C(=O)CCO)o1
InChIInChI=1S/C9H13NO3/c1-7-3-4-9(13-7)10(2)8(12)5-6-11/h3-4,11H,5-6H2,1-2H3
InChIKeyHBQGTWCLLJSOPH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.93
Rot. Bonds3

About 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide

3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide (PubChem CID 115138943) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
PubChem CID115138943
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(N(C)C(=O)CCO)o1
InChIInChI=1S/C9H13NO3/c1-7-3-4-9(13-7)10(2)8(12)5-6-11/h3-4,11H,5-6H2,1-2H3
InChIKeyHBQGTWCLLJSOPH-UHFFFAOYSA-N
XLogP0.93
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
CID 115194566
ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
CID 115141938
N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
CID 115175550
2-amino-3-[methyl-(5-methylfuran-2-yl)amino]-3-oxopropanoic acid
CID 115179254
N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
CID 115151184
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178391
N-methyl-4-(methylamino)-N-(5-methylfuran-2-yl)benzamide
CID 115161099
3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide (CID 115138943) is 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide is Cc1ccc(N(C)C(=O)CCO)o1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide?
The InChIKey is HBQGTWCLLJSOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-3-4-9(13-7)10(2)8(12)5-6-11/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide?
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 115138943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).