N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide

C15H19ClN2O3 — CID 6468177

IUPACN-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-12-1-3-13(4-2-12)17-14(19)11-18-7-5-15(6-8-18)20-9-10-21-15/h1-4H,5-11H2,(H,17,19)
InChIKeyAGQGTBWDTGSCQN-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.12
Rot. Bonds3

About N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide

N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 6468177) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID6468177
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-12-1-3-13(4-2-12)17-14(19)11-18-7-5-15(6-8-18)20-9-10-21-15/h1-4H,5-11H2,(H,17,19)
InChIKeyAGQGTBWDTGSCQN-UHFFFAOYSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 34224927
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
N-(2,6-diethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197328
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014067
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 166605999
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 6468177) is N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is O=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is AGQGTBWDTGSCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-12-1-3-13(4-2-12)17-14(19)11-18-7-5-15(6-8-18)20-9-10-21-15/h1-4H,5-11H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 310.78 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 6468177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).