[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

C21H18N2O5 — CID 8596085

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc12
InChIInChI=1S/C21H18N2O5/c1-27-18-11-10-17(15-4-2-3-5-16(15)18)21(26)28-12-19(24)23-14-8-6-13(7-9-14)20(22)25/h2-11H,12H2,1H3,(H2,22,25)(H,23,24)
InChIKeyOWFJAFPDKCXLMF-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.74
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8596085) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8596085
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc12
InChIInChI=1S/C21H18N2O5/c1-27-18-11-10-17(15-4-2-3-5-16(15)18)21(26)28-12-19(24)23-14-8-6-13(7-9-14)20(22)25/h2-11H,12H2,1H3,(H2,22,25)(H,23,24)
InChIKeyOWFJAFPDKCXLMF-UHFFFAOYSA-N
XLogP2.74
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
[2-(4-cyanoanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596149
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8596984
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596720
[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503626
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7433080
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523382
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (CID 8596085) is [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is COc1ccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc12.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is OWFJAFPDKCXLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-18-11-10-17(15-4-2-3-5-16(15)18)21(26)28-12-19(24)23-14-8-6-13(7-9-14)20(22)25/h2-11H,12H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8596085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).