N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide

C18H20N6O — CID 9195575

IUPACN-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)c1C
InChIInChI=1S/C18H20N6O/c1-13-8-7-11-16(14(13)2)19-17(25)12-23(3)18-20-21-22-24(18)15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H,19,25)
InChIKeyLCDDSSZLPUVCRO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.35
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide (PubChem CID 9195575) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
PubChem CID9195575
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)c1C
InChIInChI=1S/C18H20N6O/c1-13-8-7-11-16(14(13)2)19-17(25)12-23(3)18-20-21-22-24(18)15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H,19,25)
InChIKeyLCDDSSZLPUVCRO-UHFFFAOYSA-N
XLogP2.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide
CID 2457944
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
CID 20595245
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
Pyrrolidine-1,2-dicarboxylic acid 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide] 1-p-tolylamide
CID 3219768
2-Acetylamino-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-3-o-tolyl-propionamide
CID 3232519
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4422829
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-2,2-dimethylpropanamide
CID 16030168
N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1015987

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide (CID 9195575) is N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide is Cc1cccc(NC(=O)CN(C)c2nnnn2-c2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
The InChIKey is LCDDSSZLPUVCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-8-7-11-16(14(13)2)19-17(25)12-23(3)18-20-21-22-24(18)15-9-5-4-6-10-15/h4-11H,12H2,1-3H3,(H,19,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide is sourced from PubChem (CID 9195575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).