2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide

C12H22N2O3 — CID 79897971

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
SMILESCNC(=O)CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-11(15)9-14-10-2-5-17-12(8-10)3-6-16-7-4-12/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyBPXLABYOGQXRIO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds3

About 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide (PubChem CID 79897971) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
PubChem CID79897971
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
SMILESCNC(=O)CNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-13-11(15)9-14-10-2-5-17-12(8-10)3-6-16-7-4-12/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyBPXLABYOGQXRIO-UHFFFAOYSA-N
XLogP0.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
CID 83032578
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
CID 106237589
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
ethyl 2-(6-oxaspiro[4.5]decan-9-ylamino)acetate
CID 79895269
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide (CID 79897971) is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide is CNC(=O)CNC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide?
The InChIKey is BPXLABYOGQXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-11(15)9-14-10-2-5-17-12(8-10)3-6-16-7-4-12/h10,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide?
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide is sourced from PubChem (CID 79897971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).