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

C20H27ClN2O3 — CID 22421700

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H27ClN2O3/c21-16-7-5-15(6-8-16)18(19(24)22-17-3-1-2-4-17)23-11-9-20(10-12-23)25-13-14-26-20/h5-8,17-18H,1-4,9-14H2,(H,22,24)
InChIKeyVGBYSYYSZQCANC-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.28
Rot. Bonds4

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

2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (PubChem CID 22421700) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
PubChem CID22421700
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C20H27ClN2O3/c21-16-7-5-15(6-8-16)18(19(24)22-17-3-1-2-4-17)23-11-9-20(10-12-23)25-13-14-26-20/h5-8,17-18H,1-4,9-14H2,(H,22,24)
InChIKeyVGBYSYYSZQCANC-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide (CID 22421700) is 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is O=C(NC1CCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is VGBYSYYSZQCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c21-16-7-5-15(6-8-16)18(19(24)22-17-3-1-2-4-17)23-11-9-20(10-12-23)25-13-14-26-20/h5-8,17-18H,1-4,9-14H2,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide?
2-(4-chlorophenyl)-N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 378.90 g/mol, XLogP of 3.28, 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-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 22421700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).