[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C22H25NO5 — CID 8536122

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H25NO5/c1-26-18-9-10-20(27-2)19(13-18)23-21(24)14-28-22(25)12-15-7-8-16-5-3-4-6-17(16)11-15/h7-11,13H,3-6,12,14H2,1-2H3,(H,23,24)
InChIKeyDHWUKRRBNFDNSO-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.31
Rot. Bonds7

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 8536122) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID8536122
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C22H25NO5/c1-26-18-9-10-20(27-2)19(13-18)23-21(24)14-28-22(25)12-15-7-8-16-5-3-4-6-17(16)11-15/h7-11,13H,3-6,12,14H2,1-2H3,(H,23,24)
InChIKeyDHWUKRRBNFDNSO-UHFFFAOYSA-N
XLogP3.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613255
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536176
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578935
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201293
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536503
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535883
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 8536122) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is COc1ccc(OC)c(NC(=O)COC(=O)Cc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is DHWUKRRBNFDNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-18-9-10-20(27-2)19(13-18)23-21(24)14-28-22(25)12-15-7-8-16-5-3-4-6-17(16)11-15/h7-11,13H,3-6,12,14H2,1-2H3,(H,23,24).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 383.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 8536122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).