[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate

C23H23NO5 — CID 7698271

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C23H23NO5/c1-3-27-20-12-11-19(14-21(20)28-4-2)24-22(25)15-29-23(26)18-10-9-16-7-5-6-8-17(16)13-18/h5-14H,3-4,15H2,1-2H3,(H,24,25)
InChIKeyVLABVKSRSZJFPR-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.43
Rot. Bonds8

About [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate

[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 7698271) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID7698271
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C23H23NO5/c1-3-27-20-12-11-19(14-21(20)28-4-2)24-22(25)15-29-23(26)18-10-9-16-7-5-6-8-17(16)13-18/h5-14H,3-4,15H2,1-2H3,(H,24,25)
InChIKeyVLABVKSRSZJFPR-UHFFFAOYSA-N
XLogP4.43
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
[2-(3,4-diethoxyanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715006
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386855
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
(2-naphthalen-2-yl-2-oxoethyl) 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 16534890
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
methyl 4-[2-(3,4-diethoxyanilino)-2-oxoethoxy]benzoate
CID 7667527

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate (CID 7698271) is [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate is CCOc1ccc(NC(=O)COC(=O)c2ccc3ccccc3c2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is VLABVKSRSZJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-3-27-20-12-11-19(14-21(20)28-4-2)24-22(25)15-29-23(26)18-10-9-16-7-5-6-8-17(16)13-18/h5-14H,3-4,15H2,1-2H3,(H,24,25).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 7698271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).