1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide

C16H24N4O4 — CID 51101279

IUPAC1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
SMILESCCOC(Cn1cc(C(=O)N(C)Cc2ccc(C)o2)nn1)OCC
InChIInChI=1S/C16H24N4O4/c1-5-22-15(23-6-2)11-20-10-14(17-18-20)16(21)19(4)9-13-8-7-12(3)24-13/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyUCZSWJSBWTUWRS-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.85
Rot. Bonds9

About 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide

1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide (PubChem CID 51101279) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
PubChem CID51101279
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
SMILESCCOC(Cn1cc(C(=O)N(C)Cc2ccc(C)o2)nn1)OCC
InChIInChI=1S/C16H24N4O4/c1-5-22-15(23-6-2)11-20-10-14(17-18-20)16(21)19(4)9-13-8-7-12(3)24-13/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyUCZSWJSBWTUWRS-UHFFFAOYSA-N
XLogP1.85
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401
2-(4-formyltriazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 66214992
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
1-(2,2-diethoxyethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 47089082
1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylic acid
CID 62059937
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
S-[4-[[1-(2,2-diethoxyethyl)triazole-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544141
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55152124
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56866880
4-amino-N,1-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 65355272
2-[4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 66288132

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide (CID 51101279) is 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide is CCOC(Cn1cc(C(=O)N(C)Cc2ccc(C)o2)nn1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is UCZSWJSBWTUWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-5-22-15(23-6-2)11-20-10-14(17-18-20)16(21)19(4)9-13-8-7-12(3)24-13/h7-8,10,15H,5-6,9,11H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide?
1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 51101279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).