N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide

C17H22N2O5 — CID 38376792

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H22N2O5/c1-22-14-4-2-13(3-5-14)16(21)18-12-15(20)19-8-6-17(7-9-19)23-10-11-24-17/h2-5H,6-12H2,1H3,(H,18,21)
InChIKeySEBBRSGSFCEWAL-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 38376792) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
PubChem CID38376792
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H22N2O5/c1-22-14-4-2-13(3-5-14)16(21)18-12-15(20)19-8-6-17(7-9-19)23-10-11-24-17/h2-5H,6-12H2,1H3,(H,18,21)
InChIKeySEBBRSGSFCEWAL-UHFFFAOYSA-N
XLogP0.79
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.79
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-[2-(4-methoxyphenoxy)ethyl]-3-oxopropanamide
CID 108949993
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methoxybenzamide
CID 6988242
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
3-(2,4-dimethoxyanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028411
4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985514
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 109003312
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 110329554
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide (CID 38376792) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is SEBBRSGSFCEWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-14-4-2-13(3-5-14)16(21)18-12-15(20)19-8-6-17(7-9-19)23-10-11-24-17/h2-5H,6-12H2,1H3,(H,18,21).
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 334.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 38376792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).