N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide

C19H25N3O5 — CID 113175931

IUPACN-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)C(C)=O)cc1
InChIInChI=1S/C19H25N3O5/c1-14(23)20-16-3-5-17(6-4-16)22(15(2)24)13-18(25)21-9-7-19(8-10-21)26-11-12-27-19/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeyINSQAOXOUFXPNH-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.36
Rot. Bonds4

About N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide

N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide (PubChem CID 113175931) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
PubChem CID113175931
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)C(C)=O)cc1
InChIInChI=1S/C19H25N3O5/c1-14(23)20-16-3-5-17(6-4-16)22(15(2)24)13-18(25)21-9-7-19(8-10-21)26-11-12-27-19/h3-6H,7-13H2,1-2H3,(H,20,23)
InChIKeyINSQAOXOUFXPNH-UHFFFAOYSA-N
XLogP1.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N-(2,6-dimethylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113168682
N-(2,6-dichlorophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113179992
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 45001311
methyl 2-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 113176088
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide (CID 113175931) is N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide?
The InChIKey is INSQAOXOUFXPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-14(23)20-16-3-5-17(6-4-16)22(15(2)24)13-18(25)21-9-7-19(8-10-21)26-11-12-27-19/h3-6H,7-13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide?
N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide is sourced from PubChem (CID 113175931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).