4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C17H20N2O3 — CID 32754986

IUPAC4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-4-9-16(22-12)11-19(3)17(21)15-7-5-14(6-8-15)10-18-13(2)20/h4-9H,10-11H2,1-3H3,(H,18,20)
InChIKeyAKEACQNJUZMPQL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.50
Rot. Bonds5

About 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 32754986) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID32754986
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-4-9-16(22-12)11-19(3)17(21)15-7-5-14(6-8-15)10-18-13(2)20/h4-9H,10-11H2,1-3H3,(H,18,20)
InChIKeyAKEACQNJUZMPQL-UHFFFAOYSA-N
XLogP2.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
CID 51699077
4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
CID 155945610
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46654097
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 32754986) is 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is AKEACQNJUZMPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-4-9-16(22-12)11-19(3)17(21)15-7-5-14(6-8-15)10-18-13(2)20/h4-9H,10-11H2,1-3H3,(H,18,20).
What are the key properties of 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 32754986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).