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

C21H29ClN2O3 — CID 4594941

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H29ClN2O3/c22-17-8-6-16(7-9-17)19(20(25)23-18-4-2-1-3-5-18)24-12-10-21(11-13-24)26-14-15-27-21/h6-9,18-19H,1-5,10-15H2,(H,23,25)
InChIKeyAXWUDPBQSALTOE-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.67
Rot. Bonds4

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

2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 4594941) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID4594941
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H29ClN2O3/c22-17-8-6-16(7-9-17)19(20(25)23-18-4-2-1-3-5-18)24-12-10-21(11-13-24)26-14-15-27-21/h6-9,18-19H,1-5,10-15H2,(H,23,25)
InChIKeyAXWUDPBQSALTOE-UHFFFAOYSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 4594941) is 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is AXWUDPBQSALTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3/c22-17-8-6-16(7-9-17)19(20(25)23-18-4-2-1-3-5-18)24-12-10-21(11-13-24)26-14-15-27-21/h6-9,18-19H,1-5,10-15H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 392.93 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 4594941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).