5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide

C17H27N5O3 — CID 134706763

IUPAC5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide
SMILESCOCCn1cnnc1CN(C)Cc1cc(C(N)=O)oc1C(C)(C)C
InChIInChI=1S/C17H27N5O3/c1-17(2,3)15-12(8-13(25-15)16(18)23)9-21(4)10-14-20-19-11-22(14)6-7-24-5/h8,11H,6-7,9-10H2,1-5H3,(H2,18,23)
InChIKeyJSAXJMSIQJVWJH-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.55
Rot. Bonds8

About 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide

5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide (PubChem CID 134706763) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide
PubChem CID134706763
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide
SMILESCOCCn1cnnc1CN(C)Cc1cc(C(N)=O)oc1C(C)(C)C
InChIInChI=1S/C17H27N5O3/c1-17(2,3)15-12(8-13(25-15)16(18)23)9-21(4)10-14-20-19-11-22(14)6-7-24-5/h8,11H,6-7,9-10H2,1-5H3,(H2,18,23)
InChIKeyJSAXJMSIQJVWJH-UHFFFAOYSA-N
XLogP1.55
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
CID 74243618
1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
CID 131902585
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]-1-methylbenzimidazole-5-carboxylic acid
CID 134706798
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 146042550
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylacetamide
CID 131943221
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
CID 131904939
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72916109
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 131914732
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 135114299

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide (CID 134706763) is 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide is COCCn1cnnc1CN(C)Cc1cc(C(N)=O)oc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide?
The InChIKey is JSAXJMSIQJVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-17(2,3)15-12(8-13(25-15)16(18)23)9-21(4)10-14-20-19-11-22(14)6-7-24-5/h8,11H,6-7,9-10H2,1-5H3,(H2,18,23).
What are the key properties of 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide?
5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl-methylamino]methyl]furan-2-carboxamide is sourced from PubChem (CID 134706763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).