N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide

C23H26N8O — CID 90369373

IUPACN-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2cccc(C)c2C)nnc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C23H26N8O/c1-4-30-20(13-14-22(32)24-19-12-8-9-16(2)17(19)3)25-26-21(30)15-31-28-23(27-29-31)18-10-6-5-7-11-18/h5-12H,4,13-15H2,1-3H3,(H,24,32)
InChIKeyLGWJLEWGWYWKOI-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.19
Rot. Bonds8

About N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide

N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide (PubChem CID 90369373) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide
PubChem CID90369373
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2cccc(C)c2C)nnc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C23H26N8O/c1-4-30-20(13-14-22(32)24-19-12-8-9-16(2)17(19)3)25-26-21(30)15-31-28-23(27-29-31)18-10-6-5-7-11-18/h5-12H,4,13-15H2,1-3H3,(H,24,32)
InChIKeyLGWJLEWGWYWKOI-UHFFFAOYSA-N
XLogP3.19
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 649024
N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 26295234
2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1167917
methyl 2-[[2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 2712058
N-(2,3-dimethylphenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]acetamide
CID 1129858
3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121345821
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 859976
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 861115
N-(2,3-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462998
N-(3-chloro-2-methylphenyl)-3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide (CID 90369373) is N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide is CCn1c(CCC(=O)Nc2cccc(C)c2C)nnc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide?
The InChIKey is LGWJLEWGWYWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-4-30-20(13-14-22(32)24-19-12-8-9-16(2)17(19)3)25-26-21(30)15-31-28-23(27-29-31)18-10-6-5-7-11-18/h5-12H,4,13-15H2,1-3H3,(H,24,32).
What are the key properties of N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide?
N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide has a molecular weight of 430.52 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 90369373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).