5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide

C18H20N6O4 — CID 3236382

IUPAC5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccco2)c1N
InChIInChI=1S/C18H20N6O4/c1-2-27-14-8-4-3-7-13(14)21-15(25)11-24-17(19)16(22-23-24)18(26)20-10-12-6-5-9-28-12/h3-9H,2,10-11,19H2,1H3,(H,20,26)(H,21,25)
InChIKeyCXNFECFBSYNUCV-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.42
Rot. Bonds8

About 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide

5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 3236382) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide
PubChem CID3236382
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccco2)c1N
InChIInChI=1S/C18H20N6O4/c1-2-27-14-8-4-3-7-13(14)21-15(25)11-24-17(19)16(22-23-24)18(26)20-10-12-6-5-9-28-12/h3-9H,2,10-11,19H2,1H3,(H,20,26)(H,21,25)
InChIKeyCXNFECFBSYNUCV-UHFFFAOYSA-N
XLogP1.42
TPSA137.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 3237565
5-amino-1-{2-[(2-ethoxyphenyl)amino]-2-oxoethyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 3237666
5-amino-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 3243247
5-Amino-N-(4-ethoxyphenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 3243751
5-amino-N-(2-furylmethyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 15990733
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990739
5-Amino-1-{[(2H-1,3-benzodioxol-5-YL)carbamoyl]methyl}-N-[(furan-2-YL)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 16195401
5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
CID 3241170
5-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3245543
5-Amino-1-(2-anilino-2-oxoethyl)-N~4~-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3279863
2-(3-benzyl-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 5310524
5-amino-1-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990769

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide (CID 3236382) is 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide is CCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCc2ccco2)c1N.
What is the InChIKey of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is CXNFECFBSYNUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-2-27-14-8-4-3-7-13(14)21-15(25)11-24-17(19)16(22-23-24)18(26)20-10-12-6-5-9-28-12/h3-9H,2,10-11,19H2,1H3,(H,20,26)(H,21,25).
What are the key properties of 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 3236382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).