2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide

C21H29N3O3 — CID 60503782

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCOCCN(CC(=O)NC(C)c1cccc2ccccc12)CC(=O)N(C)C
InChIInChI=1S/C21H29N3O3/c1-16(18-11-7-9-17-8-5-6-10-19(17)18)22-20(25)14-24(12-13-27-4)15-21(26)23(2)3/h5-11,16H,12-15H2,1-4H3,(H,22,25)
InChIKeyIYRGIHQBKMVLQW-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.05
Rot. Bonds9

About 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide

2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 60503782) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID60503782
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCOCCN(CC(=O)NC(C)c1cccc2ccccc12)CC(=O)N(C)C
InChIInChI=1S/C21H29N3O3/c1-16(18-11-7-9-17-8-5-6-10-19(17)18)22-20(25)14-24(12-13-27-4)15-21(26)23(2)3/h5-11,16H,12-15H2,1-4H3,(H,22,25)
InChIKeyIYRGIHQBKMVLQW-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide (CID 60503782) is 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide is COCCN(CC(=O)NC(C)c1cccc2ccccc12)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is IYRGIHQBKMVLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16(18-11-7-9-17-8-5-6-10-19(17)18)22-20(25)14-24(12-13-27-4)15-21(26)23(2)3/h5-11,16H,12-15H2,1-4H3,(H,22,25).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 60503782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).