2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide

C12H22N2O4 — CID 114162148

IUPAC2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
SMILESNC(=O)COCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H22N2O4/c13-11(15)9-16-6-5-14-10-1-3-12(4-2-10)17-7-8-18-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyDRKMNYIBAJRBLS-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.24
Rot. Bonds6

About 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide

2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide (PubChem CID 114162148) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
PubChem CID114162148
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide
SMILESNC(=O)COCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H22N2O4/c13-11(15)9-16-6-5-14-10-1-3-12(4-2-10)17-7-8-18-12/h10,14H,1-9H2,(H2,13,15)
InChIKeyDRKMNYIBAJRBLS-UHFFFAOYSA-N
XLogP-0.24
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 103096650
2-[2-[(4-propan-2-ylcyclohexyl)amino]ethoxy]acetamide
CID 106236541
2-[2-[(4-methylcycloheptyl)amino]ethoxy]acetamide
CID 106235412
N-[3-(2-methoxyethoxy)propyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28721496
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
CID 106235673
2-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]ethoxy]acetamide
CID 114162010
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43370815
ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
CID 106235025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide (CID 114162148) is 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide is NC(=O)COCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide?
The InChIKey is DRKMNYIBAJRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c13-11(15)9-16-6-5-14-10-1-3-12(4-2-10)17-7-8-18-12/h10,14H,1-9H2,(H2,13,15).
What are the key properties of 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide?
2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide has a molecular weight of 258.32 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethoxy]acetamide is sourced from PubChem (CID 114162148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).