3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C28H26N2O4 — CID 26217134

IUPAC3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C28H26N2O4/c1-18-9-8-13-23(19(18)2)29-27(31)17-34-26-16-21-11-5-4-10-20(21)15-22(26)28(32)30-24-12-6-7-14-25(24)33-3/h4-16H,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyKVRZYFCYNIKYSM-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.74
Rot. Bonds7

About 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 26217134) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID26217134
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C28H26N2O4/c1-18-9-8-13-23(19(18)2)29-27(31)17-34-26-16-21-11-5-4-10-20(21)15-22(26)28(32)30-24-12-6-7-14-25(24)33-3/h4-16H,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyKVRZYFCYNIKYSM-UHFFFAOYSA-N
XLogP5.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 2377871
3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 32512845
N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
CID 52891651
N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
2-(3,5-dimethoxyphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 99598387
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893624
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
2-(2,8-dimethylquinolin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 100828863
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 26217134) is 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is KVRZYFCYNIKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-18-9-8-13-23(19(18)2)29-27(31)17-34-26-16-21-11-5-4-10-20(21)15-22(26)28(32)30-24-12-6-7-14-25(24)33-3/h4-16H,17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 26217134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).