[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate

C25H24N2O4 — CID 7881080

IUPAC[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C25H24N2O4/c28-23(27-22-11-5-9-18-7-3-4-10-21(18)22)16-31-24(29)15-26-25(30)20-13-12-17-6-1-2-8-19(17)14-20/h1-4,6-8,10,12-14,22H,5,9,11,15-16H2,(H,26,30)(H,27,28)/t22-/m1/s1
InChIKeyUFZATAMOUNYLNM-JOCHJYFZSA-N
MW416.48 g/mol
LogP3.31
Rot. Bonds6

About [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881080) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881080
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C25H24N2O4/c28-23(27-22-11-5-9-18-7-3-4-10-21(18)22)16-31-24(29)15-26-25(30)20-13-12-17-6-1-2-8-19(17)14-20/h1-4,6-8,10,12-14,22H,5,9,11,15-16H2,(H,26,30)(H,27,28)/t22-/m1/s1
InChIKeyUFZATAMOUNYLNM-JOCHJYFZSA-N
XLogP3.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] naphthalene-2-carboxylate
CID 16521508
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-naphthalen-2-yloxyacetate
CID 4611696
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547241
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxopentanoate
CID 8613358
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-cyclopentylacetate
CID 23848552
N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
CID 129391590
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
CID 129391588
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-methoxybenzoate
CID 2510220
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 2625137
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891387

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881080) is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is UFZATAMOUNYLNM-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-23(27-22-11-5-9-18-7-3-4-10-21(18)22)16-31-24(29)15-26-25(30)20-13-12-17-6-1-2-8-19(17)14-20/h1-4,6-8,10,12-14,22H,5,9,11,15-16H2,(H,26,30)(H,27,28)/t22-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 416.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).