N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide

C17H17N5O3 — CID 31638385

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N5O3/c1-12-16(21-22(20-12)13-6-3-2-4-7-13)17(24)19-11-15(23)18-10-14-8-5-9-25-14/h2-9H,10-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyJJLXAMWSBIZJHV-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.21
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 31638385) has the molecular formula C17H17N5O3 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID31638385
Molecular FormulaC17H17N5O3
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N5O3/c1-12-16(21-22(20-12)13-6-3-2-4-7-13)17(24)19-11-15(23)18-10-14-8-5-9-25-14/h2-9H,10-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyJJLXAMWSBIZJHV-UHFFFAOYSA-N
XLogP1.21
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18119049
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9080292
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110024390
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 31638385) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is JJLXAMWSBIZJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-12-16(21-22(20-12)13-6-3-2-4-7-13)17(24)19-11-15(23)18-10-14-8-5-9-25-14/h2-9H,10-11H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 31638385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).