2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C18H26N4O4 — CID 118739534

IUPAC2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)c1ccoc1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H26N4O4/c1-4-20-11-18(9-15(20)23)12-21(16(24)14-5-8-26-10-14)6-7-22(13-18)17(25)19(2)3/h5,8,10H,4,6-7,9,11-13H2,1-3H3
InChIKeyAWZMSKPOCGDXRF-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.96
Rot. Bonds2

About 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 118739534) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID118739534
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1CC2(CC1=O)CN(C(=O)c1ccoc1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C18H26N4O4/c1-4-20-11-18(9-15(20)23)12-21(16(24)14-5-8-26-10-14)6-7-22(13-18)17(25)19(2)3/h5,8,10H,4,6-7,9,11-13H2,1-3H3
InChIKeyAWZMSKPOCGDXRF-UHFFFAOYSA-N
XLogP0.96
TPSA77.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 118739534) is 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1CC2(CC1=O)CN(C(=O)c1ccoc1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is AWZMSKPOCGDXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-4-20-11-18(9-15(20)23)12-21(16(24)14-5-8-26-10-14)6-7-22(13-18)17(25)19(2)3/h5,8,10H,4,6-7,9,11-13H2,1-3H3.
What are the key properties of 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-(furan-3-carbonyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 118739534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).