2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide

C25H29N3O3 — CID 2404713

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)c1C
InChIInChI=1S/C25H29N3O3/c1-17-8-5-11-22(19(17)3)26-24(29)15-28(14-21-10-7-13-31-21)16-25(30)27-23-12-6-9-18(2)20(23)4/h5-13H,14-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyIOFUTCWCTJPWQX-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.59
Rot. Bonds8

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 2404713) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID2404713
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)c1C
InChIInChI=1S/C25H29N3O3/c1-17-8-5-11-22(19(17)3)26-24(29)15-28(14-21-10-7-13-31-21)16-25(30)27-23-12-6-9-18(2)20(23)4/h5-13H,14-16H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyIOFUTCWCTJPWQX-UHFFFAOYSA-N
XLogP4.59
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 2404713) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is IOFUTCWCTJPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-8-5-11-22(19(17)3)26-24(29)15-28(14-21-10-7-13-31-21)16-25(30)27-23-12-6-9-18(2)20(23)4/h5-13H,14-16H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 2404713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).