3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide

C17H24N2O4 — CID 109028531

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H24N2O4/c1-21-15-4-2-14(3-5-15)18-16(20)6-9-19-10-7-17(8-11-19)22-12-13-23-17/h2-5H,6-13H2,1H3,(H,18,20)
InChIKeyNVSCQETZQKBNAV-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.86
Rot. Bonds5

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 109028531) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID109028531
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H24N2O4/c1-21-15-4-2-14(3-5-15)18-16(20)6-9-19-10-7-17(8-11-19)22-12-13-23-17/h2-5H,6-13H2,1H3,(H,18,20)
InChIKeyNVSCQETZQKBNAV-UHFFFAOYSA-N
XLogP1.86
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 109028574
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91839507
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide (CID 109028531) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is NVSCQETZQKBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-15-4-2-14(3-5-15)18-16(20)6-9-19-10-7-17(8-11-19)22-12-13-23-17/h2-5H,6-13H2,1H3,(H,18,20).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 320.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 109028531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).