2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide

C18H24ClNO3 — CID 122276205

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCC12CCOCC2
InChIInChI=1S/C18H24ClNO3/c1-17(2,23-14-5-3-13(19)4-6-14)16(21)20-15-7-8-18(15)9-11-22-12-10-18/h3-6,15H,7-12H2,1-2H3,(H,20,21)
InChIKeyCBVRNSVXVPIEJW-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide (PubChem CID 122276205) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
PubChem CID122276205
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCC12CCOCC2
InChIInChI=1S/C18H24ClNO3/c1-17(2,23-14-5-3-13(19)4-6-14)16(21)20-15-7-8-18(15)9-11-22-12-10-18/h3-6,15H,7-12H2,1-2H3,(H,20,21)
InChIKeyCBVRNSVXVPIEJW-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(3R)-4,4-difluoropiperidin-3-yl]-2-methylpropanamide
CID 172895341
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122276198
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
2-(4-chlorophenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide
CID 18133622
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenoxypropanamide
CID 122276157
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 11545617
[3-(4-chlorophenoxy)-3-methyl-2-oxobutyl]phosphonic acid
CID 67557026

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide (CID 122276205) is 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCC12CCOCC2.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The InChIKey is CBVRNSVXVPIEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-17(2,23-14-5-3-13(19)4-6-14)16(21)20-15-7-8-18(15)9-11-22-12-10-18/h3-6,15H,7-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide has a molecular weight of 337.85 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide is sourced from PubChem (CID 122276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).