methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate

C23H25NO5 — CID 55709002

IUPACmethyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H25NO5/c1-28-23(27)15-29-20-10-8-19(9-11-20)24-22(26)13-12-21(25)18-7-6-16-4-2-3-5-17(16)14-18/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)
InChIKeyYORBTYZMJDYGLY-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.72
Rot. Bonds8

About methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate

methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate (PubChem CID 55709002) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
PubChem CID55709002
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Namemethyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H25NO5/c1-28-23(27)15-29-20-10-8-19(9-11-20)24-22(26)13-12-21(25)18-7-6-16-4-2-3-5-17(16)14-18/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)
InChIKeyYORBTYZMJDYGLY-UHFFFAOYSA-N
XLogP3.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate with MolForge

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Related Compounds

N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate
CID 97454994
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 29318949
N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119515209
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate (CID 55709002) is methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate?
The InChIKey is YORBTYZMJDYGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-28-23(27)15-29-20-10-8-19(9-11-20)24-22(26)13-12-21(25)18-7-6-16-4-2-3-5-17(16)14-18/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26).
What are the key properties of methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate?
methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate has a molecular weight of 395.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate is sourced from PubChem (CID 55709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).