3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide

C15H20N2O3 — CID 28650668

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C15H20N2O3/c16-14(18)11-2-1-3-13(10-11)17-12-4-6-15(7-5-12)19-8-9-20-15/h1-3,10,12,17H,4-9H2,(H2,16,18)
InChIKeyOFNYNCVPJWHRGU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide

3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide (PubChem CID 28650668) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
PubChem CID28650668
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C15H20N2O3/c16-14(18)11-2-1-3-13(10-11)17-12-4-6-15(7-5-12)19-8-9-20-15/h1-3,10,12,17H,4-9H2,(H2,16,18)
InChIKeyOFNYNCVPJWHRGU-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 43736506
3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic acid
CID 43736297
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-(3-bromo-4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63332921
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81321097
N-(4-chloro-3-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43719499

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide (CID 28650668) is 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide is NC(=O)c1cccc(NC2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
The InChIKey is OFNYNCVPJWHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-14(18)11-2-1-3-13(10-11)17-12-4-6-15(7-5-12)19-8-9-20-15/h1-3,10,12,17H,4-9H2,(H2,16,18).
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide?
3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide is sourced from PubChem (CID 28650668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).