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

C26H26N2O3 — CID 9253250

IUPACN-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NCc2ccccc2)c1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C26H26N2O3/c29-25(28-24-15-7-11-20-10-4-5-14-23(20)24)18-31-22-13-6-12-21(16-22)26(30)27-17-19-8-2-1-3-9-19/h1-6,8-10,12-14,16,24H,7,11,15,17-18H2,(H,27,30)(H,28,29)/t24-/m1/s1
InChIKeyNTLLZORJPPIXTB-XMMPIXPASA-N
MW414.51 g/mol
LogP4.19
Rot. Bonds7

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

N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide (PubChem CID 9253250) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
PubChem CID9253250
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NCc2ccccc2)c1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C26H26N2O3/c29-25(28-24-15-7-11-20-10-4-5-14-23(20)24)18-31-22-13-6-12-21(16-22)26(30)27-17-19-8-2-1-3-9-19/h1-6,8-10,12-14,16,24H,7,11,15,17-18H2,(H,27,30)(H,28,29)/t24-/m1/s1
InChIKeyNTLLZORJPPIXTB-XMMPIXPASA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819137
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511356
2-[[2-(3-hydroxyphenoxy)acetyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 143041788
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-quinolin-6-yloxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75405661
[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-(naphthalene-2-carbonylamino)acetate
CID 7881080
2-(4-propanoylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2542209
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide (CID 9253250) is N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide is O=C(COc1cccc(C(=O)NCc2ccccc2)c1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide?
The InChIKey is NTLLZORJPPIXTB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(28-24-15-7-11-20-10-4-5-14-23(20)24)18-31-22-13-6-12-21(16-22)26(30)27-17-19-8-2-1-3-9-19/h1-6,8-10,12-14,16,24H,7,11,15,17-18H2,(H,27,30)(H,28,29)/t24-/m1/s1.
What are the key properties of N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide?
N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide is sourced from PubChem (CID 9253250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).