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

C17H24N2O3 — CID 109028499

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H24N2O3/c1-14-2-4-15(5-3-14)18-16(20)6-9-19-10-7-17(8-11-19)21-12-13-22-17/h2-5H,6-13H2,1H3,(H,18,20)
InChIKeyNPEXVKQKBOKPTH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.16
Rot. Bonds4

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

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide (PubChem CID 109028499) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
PubChem CID109028499
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H24N2O3/c1-14-2-4-15(5-3-14)18-16(20)6-9-19-10-7-17(8-11-19)21-12-13-22-17/h2-5H,6-13H2,1H3,(H,18,20)
InChIKeyNPEXVKQKBOKPTH-UHFFFAOYSA-N
XLogP2.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)propanamide
CID 109028531
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 109028574
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpropanamide
CID 112726882
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide
CID 51063581
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide (CID 109028499) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is NPEXVKQKBOKPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-2-4-15(5-3-14)18-16(20)6-9-19-10-7-17(8-11-19)21-12-13-22-17/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-methylphenyl)propanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-methylphenyl)propanamide is sourced from PubChem (CID 109028499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).