2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

C17H20N2O3 — CID 18118941

IUPAC2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESCc1ccc(CC(=O)NCC(=O)NCc2ccco2)cc1C
InChIInChI=1S/C17H20N2O3/c1-12-5-6-14(8-13(12)2)9-16(20)19-11-17(21)18-10-15-4-3-7-22-15/h3-8H,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDIEILCSPDANYNE-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.87
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 18118941) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID18118941
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESCc1ccc(CC(=O)NCC(=O)NCc2ccco2)cc1C
InChIInChI=1S/C17H20N2O3/c1-12-5-6-14(8-13(12)2)9-16(20)19-11-17(21)18-10-15-4-3-7-22-15/h3-8H,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDIEILCSPDANYNE-UHFFFAOYSA-N
XLogP1.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 18118941) is 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is Cc1ccc(CC(=O)NCC(=O)NCc2ccco2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is DIEILCSPDANYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-5-6-14(8-13(12)2)9-16(20)19-11-17(21)18-10-15-4-3-7-22-15/h3-8H,9-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 18118941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).