2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C15H29N3O3 — CID 3229642

IUPAC2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCCN(CC)CCNCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29N3O3/c1-3-17(4-2)10-7-16-13-14(19)18-8-5-15(6-9-18)20-11-12-21-15/h16H,3-13H2,1-2H3
InChIKeyRUJWFMYDGATJKG-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.28
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 3229642) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID3229642
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCCN(CC)CCNCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29N3O3/c1-3-17(4-2)10-7-16-13-14(19)18-8-5-15(6-9-18)20-11-12-21-15/h16H,3-13H2,1-2H3
InChIKeyRUJWFMYDGATJKG-UHFFFAOYSA-N
XLogP0.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 1439903
n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515249
N-ethyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71923201
N-(2-cyanoethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34227225
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808278
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
n-(2-Methoxyethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 53525519
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60506864
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112725276
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(ethylcarbamoyl)acetamide
CID 35425630

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 3229642) is 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is CCN(CC)CCNCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is RUJWFMYDGATJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-17(4-2)10-7-16-13-14(19)18-8-5-15(6-9-18)20-11-12-21-15/h16H,3-13H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 299.41 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 3229642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).