(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate

C29H25NO7 — CID 16534890

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2OC)cc1
InChIInChI=1S/C29H25NO7/c1-34-24-12-10-23(11-13-24)30-28(32)18-36-26-14-9-22(16-27(26)35-2)29(33)37-17-25(31)21-8-7-19-5-3-4-6-20(19)15-21/h3-16H,17-18H2,1-2H3,(H,30,32)
InChIKeyYRQNPLCJQJWPKU-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.91
Rot. Bonds10

About (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate

(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 16534890) has the molecular formula C29H25NO7 and a molecular weight of 499.52 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID16534890
Molecular FormulaC29H25NO7
Molecular Weight499.52 g/mol
Exact Mass499.16
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2OC)cc1
InChIInChI=1S/C29H25NO7/c1-34-24-12-10-23(11-13-24)30-28(32)18-36-26-14-9-22(16-27(26)35-2)29(33)37-17-25(31)21-8-7-19-5-3-4-6-20(19)15-21/h3-16H,17-18H2,1-2H3,(H,30,32)
InChIKeyYRQNPLCJQJWPKU-UHFFFAOYSA-N
XLogP4.91
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate with MolForge

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Related Compounds

phenacyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2369072
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 3928712
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 2562569
(2-amino-2-oxoethyl) 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308946
(2-methoxy-2-oxoethyl) 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55354796
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 42978945
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441229

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate (CID 16534890) is (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate is COc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2OC)cc1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is YRQNPLCJQJWPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO7/c1-34-24-12-10-23(11-13-24)30-28(32)18-36-26-14-9-22(16-27(26)35-2)29(33)37-17-25(31)21-8-7-19-5-3-4-6-20(19)15-21/h3-16H,17-18H2,1-2H3,(H,30,32).
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate?
(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 499.52 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 16534890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).