2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide

C17H22ClNO3 — CID 18583785

IUPAC2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C17H22ClNO3/c18-14-6-4-13(5-7-14)10-16(20)19-11-15-12-21-17(22-15)8-2-1-3-9-17/h4-7,15H,1-3,8-12H2,(H,19,20)
InChIKeyYOUSEQMFYMGWEB-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide

2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide (PubChem CID 18583785) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
PubChem CID18583785
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C17H22ClNO3/c18-14-6-4-13(5-7-14)10-16(20)19-11-15-12-21-17(22-15)8-2-1-3-9-17/h4-7,15H,1-3,8-12H2,(H,19,20)
InChIKeyYOUSEQMFYMGWEB-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975
N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide
CID 7423508
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 75444566
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 97258866
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412155
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide
CID 94220216
N'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-nitrobenzamide
CID 18583919
N'-[(2-chlorophenyl)methyl]-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647092

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide (CID 18583785) is 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC1COC2(CCCCC2)O1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The InChIKey is YOUSEQMFYMGWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c18-14-6-4-13(5-7-14)10-16(20)19-11-15-12-21-17(22-15)8-2-1-3-9-17/h4-7,15H,1-3,8-12H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide has a molecular weight of 323.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide is sourced from PubChem (CID 18583785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).