[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate

C22H25NO4 — CID 8911653

IUPAC[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C22H25NO4/c1-15-10-16(2)12-18(11-15)26-14-22(25)27-13-21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyJVJPGEYBRHESQV-FQEVSTJZSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds6

About [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 8911653) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
PubChem CID8911653
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C22H25NO4/c1-15-10-16(2)12-18(11-15)26-14-22(25)27-13-21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyJVJPGEYBRHESQV-FQEVSTJZSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate with MolForge

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-naphthalen-2-yloxyacetate
CID 4611696
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-chlorophenoxy)acetate
CID 16512620
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779317
[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 95795799
[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
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-phenoxybutanoate
CID 7185712
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352779
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23884530
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 4877490

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate (CID 8911653) is [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is JVJPGEYBRHESQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-10-16(2)12-18(11-15)26-14-22(25)27-13-21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate?
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 367.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 8911653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).