2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide

C20H29ClN2O4 — CID 3240877

IUPAC2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H29ClN2O4/c1-2-25-13-3-10-22-19(24)18(16-4-6-17(21)7-5-16)23-11-8-20(9-12-23)26-14-15-27-20/h4-7,18H,2-3,8-15H2,1H3,(H,22,24)
InChIKeyDULNHDLICRJWPR-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.76
Rot. Bonds8

About 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide

2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide (PubChem CID 3240877) has the molecular formula C20H29ClN2O4 and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide
PubChem CID3240877
Molecular FormulaC20H29ClN2O4
Molecular Weight396.92 g/mol
Exact Mass396.18
IUPAC Name2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H29ClN2O4/c1-2-25-13-3-10-22-19(24)18(16-4-6-17(21)7-5-16)23-11-8-20(9-12-23)26-14-15-27-20/h4-7,18H,2-3,8-15H2,1H3,(H,22,24)
InChIKeyDULNHDLICRJWPR-UHFFFAOYSA-N
XLogP2.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-{N-[(4-chlorophenyl)acetyl]glycyl}-1-piperazinecarboxylate
CID 2976929
2-(4-Chlorophenyl)-N-(3-ethoxypropyl)-2-[(6-oxo-1,6-dihydropyridin-3-YL)formamido]acetamide
CID 4387071
2-(4-Chlorophenyl)-N~1~-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-YL)acetamide
CID 4594941
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide
CID 3237152
N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-phenylacetamide
CID 3245900
N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenyl)acetamide
CID 4594938
N~2~-acetyl-N-{1-(4-chlorophenyl)-2-[(3-ethoxypropyl)amino]-2-oxoethyl}glycinamide
CID 3238377
2-(4-chlorophenyl)-N-cyclohexyl-2-(dimethylamino)acetamide
CID 3239214
2-(4-chlorophenyl)-N-cyclopentyl-2-morpholin-4-ylacetamide
CID 4350501
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-ethylpiperazin-1-yl)acetamide
CID 4390597
1-[(2-Chlorophenyl)methyl]-5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}pyrrolidin-2-one
CID 4573988
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide
CID 4995551

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide (CID 3240877) is 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is DULNHDLICRJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O4/c1-2-25-13-3-10-22-19(24)18(16-4-6-17(21)7-5-16)23-11-8-20(9-12-23)26-14-15-27-20/h4-7,18H,2-3,8-15H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide?
2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 396.92 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 3240877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).