[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

C20H23NO5 — CID 55460100

IUPAC[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C20H23NO5/c1-5-15-6-8-16(9-7-15)13(3)21-17(22)11-25-20(24)19-12(2)10-18(23)26-14(19)4/h6-10,13H,5,11H2,1-4H3,(H,21,22)
InChIKeyNJFZRSNTJAAVBI-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.85
Rot. Bonds6

About [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 55460100) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID55460100
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C20H23NO5/c1-5-15-6-8-16(9-7-15)13(3)21-17(22)11-25-20(24)19-12(2)10-18(23)26-14(19)4/h6-10,13H,5,11H2,1-4H3,(H,21,22)
InChIKeyNJFZRSNTJAAVBI-UHFFFAOYSA-N
XLogP2.85
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 18123486
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33273438
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 9454789
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726263
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820326
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511594
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533770

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 55460100) is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is CCc1ccc(C(C)NC(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1.
What is the InChIKey of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is NJFZRSNTJAAVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-5-15-6-8-16(9-7-15)13(3)21-17(22)11-25-20(24)19-12(2)10-18(23)26-14(19)4/h6-10,13H,5,11H2,1-4H3,(H,21,22).
What are the key properties of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 55460100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).