[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C23H24N2O5 — CID 18288564

IUPAC[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCC(NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H24N2O5/c1-15(17-11-10-16-6-2-3-7-18(16)12-17)24-21(26)14-29-22(27)13-25-19-8-4-5-9-20(19)30-23(25)28/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,24,26)
InChIKeySJEKQZPPSSXZFY-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.89
Rot. Bonds6

About [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 18288564) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID18288564
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCC(NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H24N2O5/c1-15(17-11-10-16-6-2-3-7-18(16)12-17)24-21(26)14-29-22(27)13-25-19-8-4-5-9-20(19)30-23(25)28/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,24,26)
InChIKeySJEKQZPPSSXZFY-UHFFFAOYSA-N
XLogP2.89
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401502
[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 4-oxochromene-2-carboxylate
CID 8867757
[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819821
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 46821396
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 43026362
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8951396
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396885
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400359
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55310884
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 8941122
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55386292
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401195

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 18288564) is [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is CC(NC(=O)COC(=O)Cn1c(=O)oc2ccccc21)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is SJEKQZPPSSXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15(17-11-10-16-6-2-3-7-18(16)12-17)24-21(26)14-29-22(27)13-25-19-8-4-5-9-20(19)30-23(25)28/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 408.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 18288564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).