N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

C19H30N4O4 — CID 70746578

IUPACN-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCOCCN1CCC2(CCC1=O)CN(C(=O)NCc1ccco1)CCN2C
InChIInChI=1S/C19H30N4O4/c1-21-9-10-23(18(25)20-14-16-4-3-12-27-16)15-19(21)6-5-17(24)22(8-7-19)11-13-26-2/h3-4,12H,5-11,13-15H2,1-2H3,(H,20,25)
InChIKeyXUKNZIYSTIPFPM-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.13
Rot. Bonds5

About N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 70746578) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID70746578
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC NameN-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCOCCN1CCC2(CCC1=O)CN(C(=O)NCc1ccco1)CCN2C
InChIInChI=1S/C19H30N4O4/c1-21-9-10-23(18(25)20-14-16-4-3-12-27-16)15-19(21)6-5-17(24)22(8-7-19)11-13-26-2/h3-4,12H,5-11,13-15H2,1-2H3,(H,20,25)
InChIKeyXUKNZIYSTIPFPM-UHFFFAOYSA-N
XLogP1.13
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72918843
(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97112786
1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70737784
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894591
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
10-ethyl-4-[5-(methoxymethyl)furan-2-carbonyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72884563
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72934530
3-[[(6S)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzonitrile
CID 97204100
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126435745
10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70709882

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 70746578) is N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is COCCN1CCC2(CCC1=O)CN(C(=O)NCc1ccco1)CCN2C.
What is the InChIKey of N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is XUKNZIYSTIPFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-21-9-10-23(18(25)20-14-16-4-3-12-27-16)15-19(21)6-5-17(24)22(8-7-19)11-13-26-2/h3-4,12H,5-11,13-15H2,1-2H3,(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 70746578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).