N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide

C19H27NO3 — CID 122276198

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C19H27NO3/c1-14(2)15-3-5-16(6-4-15)23-13-18(21)20-17-7-8-19(17)9-11-22-12-10-19/h3-6,14,17H,7-13H2,1-2H3,(H,20,21)
InChIKeyCPFPVFJJPDCKMB-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.26
Rot. Bonds5

About N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 122276198) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID122276198
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C19H27NO3/c1-14(2)15-3-5-16(6-4-15)23-13-18(21)20-17-7-8-19(17)9-11-22-12-10-19/h3-6,14,17H,7-13H2,1-2H3,(H,20,21)
InChIKeyCPFPVFJJPDCKMB-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119458161
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenoxypropanamide
CID 122276157
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 122276198) is N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC2CCC23CCOCC3)cc1.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CPFPVFJJPDCKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(2)15-3-5-16(6-4-15)23-13-18(21)20-17-7-8-19(17)9-11-22-12-10-19/h3-6,14,17H,7-13H2,1-2H3,(H,20,21).
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 122276198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).