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

C16H21ClN2O3 — CID 6467851

IUPACN-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c17-14-3-1-13(2-4-14)11-18-15(20)12-19-7-5-16(6-8-19)21-9-10-22-16/h1-4H,5-12H2,(H,18,20)
InChIKeyFIZCILCXRBWCSU-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.80
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 6467851) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID6467851
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c17-14-3-1-13(2-4-14)11-18-15(20)12-19-7-5-16(6-8-19)21-9-10-22-16/h1-4H,5-12H2,(H,18,20)
InChIKeyFIZCILCXRBWCSU-UHFFFAOYSA-N
XLogP1.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
2-(4-Chlorophenyl)-N~1~-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-YL)acetamide
CID 4594941
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 9550768
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide
CID 20851421
2-{3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl}-N-(3-methoxypropyl)acetamide
CID 9550616
N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 2608363
1-(4-Chlorobenzyl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]imidazolidin-2-one
CID 3236743
2-(4-Chlorophenyl)-2-{1,4-dioxa-8-azaspiro[4.5]decan-8-YL}-N-(3-ethoxypropyl)acetamide
CID 3240877

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 6467851) is N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is O=C(CN1CCC2(CC1)OCCO2)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is FIZCILCXRBWCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-14-3-1-13(2-4-14)11-18-15(20)12-19-7-5-16(6-8-19)21-9-10-22-16/h1-4H,5-12H2,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 324.81 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 6467851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).