N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide

C16H19NO3 — CID 110767919

IUPACN-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(C)cc1CC(=O)NCc1ccco1
InChIInChI=1S/C16H19NO3/c1-11-7-13(15(19-3)8-12(11)2)9-16(18)17-10-14-5-4-6-20-14/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyXRIYBHWZDARLIH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.76
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide

N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide (PubChem CID 110767919) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
PubChem CID110767919
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(C)cc1CC(=O)NCc1ccco1
InChIInChI=1S/C16H19NO3/c1-11-7-13(15(19-3)8-12(11)2)9-16(18)17-10-14-5-4-6-20-14/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyXRIYBHWZDARLIH-UHFFFAOYSA-N
XLogP2.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 8719470
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzamide
CID 110762882
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 4914066
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 108792033

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide (CID 110767919) is N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide is COc1cc(C)c(C)cc1CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide?
The InChIKey is XRIYBHWZDARLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-7-13(15(19-3)8-12(11)2)9-16(18)17-10-14-5-4-6-20-14/h4-8H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide?
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide is sourced from PubChem (CID 110767919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).