N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide

C16H22N2O3 — CID 51063581

IUPACN-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)15(19)17-12-18-8-6-16(7-9-18)20-10-11-21-16/h2-5H,6-12H2,1H3,(H,17,19)
InChIKeyGRWGEVBUGFLZNP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.52
Rot. Bonds3

About N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide

N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide (PubChem CID 51063581) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide
PubChem CID51063581
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)15(19)17-12-18-8-6-16(7-9-18)20-10-11-21-16/h2-5H,6-12H2,1H3,(H,17,19)
InChIKeyGRWGEVBUGFLZNP-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-methylphenyl)propanamide
CID 109028499
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
CID 38376792
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109105272
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
N-(2,6-diethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197328
4-(3H-azepin-6-yl)-1,3-thiazol-2-amine;4-methyl-N-(morpholin-4-ylmethyl)benzamide
CID 143084224
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide (CID 51063581) is N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide?
The InChIKey is GRWGEVBUGFLZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)15(19)17-12-18-8-6-16(7-9-18)20-10-11-21-16/h2-5H,6-12H2,1H3,(H,17,19).
What are the key properties of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide?
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 51063581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).