2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide

C26H26N2O4 — CID 40810648

IUPAC2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C26H26N2O4/c1-31-24-12-5-4-10-22(24)26(30)27-19-13-15-20(16-14-19)32-17-25(29)28-23-11-6-8-18-7-2-3-9-21(18)23/h2-5,7,9-10,12-16,23H,6,8,11,17H2,1H3,(H,27,30)(H,28,29)/t23-/m1/s1
InChIKeyQTYFHAFKLQMAGX-HSZRJFAPSA-N
MW430.50 g/mol
LogP4.52
Rot. Bonds7

About 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide

2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide (PubChem CID 40810648) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
PubChem CID40810648
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C26H26N2O4/c1-31-24-12-5-4-10-22(24)26(30)27-19-13-15-20(16-14-19)32-17-25(29)28-23-11-6-8-18-7-2-3-9-21(18)23/h2-5,7,9-10,12-16,23H,6,8,11,17H2,1H3,(H,27,30)(H,28,29)/t23-/m1/s1
InChIKeyQTYFHAFKLQMAGX-HSZRJFAPSA-N
XLogP4.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9320007
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CID 41135260
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
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CID 7705059
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098259
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide (CID 40810648) is 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide?
The InChIKey is QTYFHAFKLQMAGX-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-31-24-12-5-4-10-22(24)26(30)27-19-13-15-20(16-14-19)32-17-25(29)28-23-11-6-8-18-7-2-3-9-21(18)23/h2-5,7,9-10,12-16,23H,6,8,11,17H2,1H3,(H,27,30)(H,28,29)/t23-/m1/s1.
What are the key properties of 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide?
2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide has a molecular weight of 430.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide is sourced from PubChem (CID 40810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).