N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide

C9H11NO3 — CID 115175550

IUPACN-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1ccc(C)o1
InChIInChI=1S/C9H11NO3/c1-6-4-5-8(13-6)10(3)9(12)7(2)11/h4-5H,1-3H3
InChIKeyGWIQZWWABVFUDN-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.14
Rot. Bonds2

About N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide

N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide (PubChem CID 115175550) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
PubChem CID115175550
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1ccc(C)o1
InChIInChI=1S/C9H11NO3/c1-6-4-5-8(13-6)10(3)9(12)7(2)11/h4-5H,1-3H3
InChIKeyGWIQZWWABVFUDN-UHFFFAOYSA-N
XLogP1.14
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
CID 115138943
2-amino-3-[methyl-(5-methylfuran-2-yl)amino]-3-oxopropanoic acid
CID 115179254
N-methyl-4-(methylamino)-N-(5-methylfuran-2-yl)benzamide
CID 115161099
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
CID 115151184
3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
3-hydroxy-4-[methyl-(5-methylfuran-2-yl)amino]butanoic acid
CID 115122985
N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178391
(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
CID 10375022
4-[[methyl-(5-methylfuran-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115221914

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide?
The IUPAC name of N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide (CID 115175550) is N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide.
What is the SMILES notation for N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide?
The canonical SMILES for N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide is CC(=O)C(=O)N(C)c1ccc(C)o1.
What is the InChIKey of N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide?
The InChIKey is GWIQZWWABVFUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-4-5-8(13-6)10(3)9(12)7(2)11/h4-5H,1-3H3.
What are the key properties of N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide?
N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide has a molecular weight of 181.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide is sourced from PubChem (CID 115175550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).