[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

C23H29NO5 — CID 33042636

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)NC(=O)C1CCCCC1
InChIInChI=1S/C23H29NO5/c25-20(19-11-10-16-6-4-5-9-18(16)14-19)12-13-22(27)29-15-21(26)24-23(28)17-7-2-1-3-8-17/h10-11,14,17H,1-9,12-13,15H2,(H,24,26,28)
InChIKeyGGCJSUNCUZLYFM-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.29
Rot. Bonds7

About [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (PubChem CID 33042636) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
PubChem CID33042636
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)NC(=O)C1CCCCC1
InChIInChI=1S/C23H29NO5/c25-20(19-11-10-16-6-4-5-9-18(16)14-19)12-13-22(27)29-15-21(26)24-23(28)17-7-2-1-3-8-17/h10-11,14,17H,1-9,12-13,15H2,(H,24,26,28)
InChIKeyGGCJSUNCUZLYFM-UHFFFAOYSA-N
XLogP3.29
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate with MolForge

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Related Compounds

[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8588484
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 46806247
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 31615561
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 29318600
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 31657011
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8588685
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 55357288
but-2-enyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 76855279
ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
CID 108807177
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 29318949
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 8559374
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 38391869

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (CID 33042636) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate is O=C(COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)NC(=O)C1CCCCC1.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The InChIKey is GGCJSUNCUZLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c25-20(19-11-10-16-6-4-5-9-18(16)14-19)12-13-22(27)29-15-21(26)24-23(28)17-7-2-1-3-8-17/h10-11,14,17H,1-9,12-13,15H2,(H,24,26,28).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate has a molecular weight of 399.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate is sourced from PubChem (CID 33042636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).