2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H33N3O4 — CID 2998311

IUPAC2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)NC2CCCc3ccccc32)cc1OCC
InChIInChI=1S/C25H33N3O4/c1-4-31-22-14-13-19(15-23(22)32-5-2)26-24(29)16-28(3)17-25(30)27-21-12-8-10-18-9-6-7-11-20(18)21/h6-7,9,11,13-15,21H,4-5,8,10,12,16-17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyVNNFNQYJVBIDAE-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.55
Rot. Bonds10

About 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 2998311) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID2998311
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)NC2CCCc3ccccc32)cc1OCC
InChIInChI=1S/C25H33N3O4/c1-4-31-22-14-13-19(15-23(22)32-5-2)26-24(29)16-28(3)17-25(30)27-21-12-8-10-18-9-6-7-11-20(18)21/h6-7,9,11,13-15,21H,4-5,8,10,12,16-17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyVNNFNQYJVBIDAE-UHFFFAOYSA-N
XLogP3.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 2998311) is 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CCOc1ccc(NC(=O)CN(C)CC(=O)NC2CCCc3ccccc32)cc1OCC.
What is the InChIKey of 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is VNNFNQYJVBIDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-31-22-14-13-19(15-23(22)32-5-2)26-24(29)16-28(3)17-25(30)27-21-12-8-10-18-9-6-7-11-20(18)21/h6-7,9,11,13-15,21H,4-5,8,10,12,16-17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 2998311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).