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

C16H22N2O3 — CID 112984191

IUPACN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O3/c1-2-15(19)17-13-3-5-14(6-4-13)18-9-7-16(8-10-18)20-11-12-21-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyUAQRPMDMMYYYAY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.38
Rot. Bonds3

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

N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide (PubChem CID 112984191) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
PubChem CID112984191
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O3/c1-2-15(19)17-13-3-5-14(6-4-13)18-9-7-16(8-10-18)20-11-12-21-16/h3-6H,2,7-12H2,1H3,(H,17,19)
InChIKeyUAQRPMDMMYYYAY-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
CID 112984226
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243
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-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
N-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl]hydroxylamine
CID 12965960
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide?
The IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide (CID 112984191) is N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide?
The InChIKey is UAQRPMDMMYYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-15(19)17-13-3-5-14(6-4-13)18-9-7-16(8-10-18)20-11-12-21-16/h3-6H,2,7-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide?
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide is sourced from PubChem (CID 112984191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).