2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide

C16H20N2O2 — CID 9102879

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-7-14(8-5-12)17-16(19)11-18(3)10-15-9-6-13(2)20-15/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyHWYAYLORYARRIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.97
Rot. Bonds5

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 9102879) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID9102879
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(C)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-7-14(8-5-12)17-16(19)11-18(3)10-15-9-6-13(2)20-15/h4-9H,10-11H2,1-3H3,(H,17,19)
InChIKeyHWYAYLORYARRIY-UHFFFAOYSA-N
XLogP2.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9103147
N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102591
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102498
2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622205

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide (CID 9102879) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccc(C)o2)cc1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is HWYAYLORYARRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-7-14(8-5-12)17-16(19)11-18(3)10-15-9-6-13(2)20-15/h4-9H,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9102879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).