N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide

C18H26N2O3 — CID 136585800

IUPACN-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN[C@@H]1C[C@@H](O)C12CCOCC2
InChIInChI=1S/C18H26N2O3/c1-2-13-5-3-4-6-14(13)20-17(22)12-19-15-11-16(21)18(15)7-9-23-10-8-18/h3-6,15-16,19,21H,2,7-12H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyRYEUXPUCODLGCE-HZPDHXFCSA-N
MW318.42 g/mol
LogP1.71
Rot. Bonds5

About N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide

N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide (PubChem CID 136585800) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
PubChem CID136585800
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN[C@@H]1C[C@@H](O)C12CCOCC2
InChIInChI=1S/C18H26N2O3/c1-2-13-5-3-4-6-14(13)20-17(22)12-19-15-11-16(21)18(15)7-9-23-10-8-18/h3-6,15-16,19,21H,2,7-12H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyRYEUXPUCODLGCE-HZPDHXFCSA-N
XLogP1.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide (CID 136585800) is N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide is CCc1ccccc1NC(=O)CN[C@@H]1C[C@@H](O)C12CCOCC2.
What is the InChIKey of N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide?
The InChIKey is RYEUXPUCODLGCE-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-13-5-3-4-6-14(13)20-17(22)12-19-15-11-16(21)18(15)7-9-23-10-8-18/h3-6,15-16,19,21H,2,7-12H2,1H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide?
N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide is sourced from PubChem (CID 136585800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).