2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H27N5O3 — CID 70723217

IUPAC2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C17H27N5O3/c1-20(2)8-9-21-11-17(6-4-14(21)23)5-3-7-22(12-17)15(24)13-10-18-16(25)19-13/h10H,3-9,11-12H2,1-2H3,(H2,18,19,25)
InChIKeyUSQNWLVVUGWCNB-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.11
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70723217) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70723217
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O
InChIInChI=1S/C17H27N5O3/c1-20(2)8-9-21-11-17(6-4-14(21)23)5-3-7-22(12-17)15(24)13-10-18-16(25)19-13/h10H,3-9,11-12H2,1-2H3,(H2,18,19,25)
InChIKeyUSQNWLVVUGWCNB-UHFFFAOYSA-N
XLogP0.11
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70723217) is 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCCN(C(=O)c3c[nH]c(=O)[nH]3)C2)CCC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is USQNWLVVUGWCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20(2)8-9-21-11-17(6-4-14(21)23)5-3-7-22(12-17)15(24)13-10-18-16(25)19-13/h10H,3-9,11-12H2,1-2H3,(H2,18,19,25).
What are the key properties of 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 349.44 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70723217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).