N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C13H24N4O2 — CID 83110512

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1CC12CCNCC2
InChIInChI=1S/C13H24N4O2/c1-17(2)12(19)16-8-7-15-11(18)10-9-13(10)3-5-14-6-4-13/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyBKZSUQPGYIIYBC-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.24
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 83110512) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID83110512
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1CC12CCNCC2
InChIInChI=1S/C13H24N4O2/c1-17(2)12(19)16-8-7-15-11(18)10-9-13(10)3-5-14-6-4-13/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyBKZSUQPGYIIYBC-UHFFFAOYSA-N
XLogP-0.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 83110512) is N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is CN(C)C(=O)NCCNC(=O)C1CC12CCNCC2.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is BKZSUQPGYIIYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17(2)12(19)16-8-7-15-11(18)10-9-13(10)3-5-14-6-4-13/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 83110512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).