[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

C16H22N2O5 — CID 9347819

IUPAC[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C16H22N2O5/c1-4-17-13(19)9-18(5-2)14(20)10-23-16(22)12-8-6-7-11(3)15(12)21/h6-8,21H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyJDBPYYGXXYPBEC-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.84
Rot. Bonds7

About [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 9347819) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID9347819
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)c1cccc(C)c1O
InChIInChI=1S/C16H22N2O5/c1-4-17-13(19)9-18(5-2)14(20)10-23-16(22)12-8-6-7-11(3)15(12)21/h6-8,21H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyJDBPYYGXXYPBEC-UHFFFAOYSA-N
XLogP0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197450
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841059
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347734
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011208
[2-(butylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578092
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2407873
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-hydroxy-3-methylbenzoate
CID 2578061
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847490
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7840448
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 9347819) is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is CCNC(=O)CN(CC)C(=O)COC(=O)c1cccc(C)c1O.
What is the InChIKey of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is JDBPYYGXXYPBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-17-13(19)9-18(5-2)14(20)10-23-16(22)12-8-6-7-11(3)15(12)21/h6-8,21H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 322.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 9347819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).