[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate

C21H19NO4 — CID 2405012

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(C(=O)COC(=O)c1ccc(O)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H19NO4/c1-2-22(19-9-5-7-15-6-3-4-8-18(15)19)20(24)14-26-21(25)16-10-12-17(23)13-11-16/h3-13,23H,2,14H2,1H3
InChIKeyMJZYJTCFKCDZQD-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.76
Rot. Bonds5

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2405012) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2405012
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(C(=O)COC(=O)c1ccc(O)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H19NO4/c1-2-22(19-9-5-7-15-6-3-4-8-18(15)19)20(24)14-26-21(25)16-10-12-17(23)13-11-16/h3-13,23H,2,14H2,1H3
InChIKeyMJZYJTCFKCDZQD-UHFFFAOYSA-N
XLogP3.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519656
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552742
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 27561308
2-(2-ethoxyphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 112779417
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988393
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545199
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2383760
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4832074
[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133527
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4615912
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18128442

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate (CID 2405012) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate is CCN(C(=O)COC(=O)c1ccc(O)cc1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is MJZYJTCFKCDZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-22(19-9-5-7-15-6-3-4-8-18(15)19)20(24)14-26-21(25)16-10-12-17(23)13-11-16/h3-13,23H,2,14H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 349.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2405012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).