N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide

C15H27N3O4 — CID 18583843

IUPACN-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C15H27N3O4/c1-18(2)9-8-16-13(19)14(20)17-10-12-11-21-15(22-12)6-4-3-5-7-15/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyTXIFFTZRBZLGSD-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.14
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide

N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (PubChem CID 18583843) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
PubChem CID18583843
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C15H27N3O4/c1-18(2)9-8-16-13(19)14(20)17-10-12-11-21-15(22-12)6-4-3-5-7-15/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyTXIFFTZRBZLGSD-UHFFFAOYSA-N
XLogP-0.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide (CID 18583843) is N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is CN(C)CCNC(=O)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
The InChIKey is TXIFFTZRBZLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-18(2)9-8-16-13(19)14(20)17-10-12-11-21-15(22-12)6-4-3-5-7-15/h12H,3-11H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide?
N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide has a molecular weight of 313.40 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide is sourced from PubChem (CID 18583843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).