N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C18H23N3O — CID 20892369

IUPACN-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2cc3c(n2)CCC(C)C3)cc1
InChIInChI=1S/C18H23N3O/c1-13-3-6-15(7-4-13)10-19-18(22)12-21-11-16-9-14(2)5-8-17(16)20-21/h3-4,6-7,11,14H,5,8-10,12H2,1-2H3,(H,19,22)
InChIKeyOTAWGZAIGKILFG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.63
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892369) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892369
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2cc3c(n2)CCC(C)C3)cc1
InChIInChI=1S/C18H23N3O/c1-13-3-6-15(7-4-13)10-19-18(22)12-21-11-16-9-14(2)5-8-17(16)20-21/h3-4,6-7,11,14H,5,8-10,12H2,1-2H3,(H,19,22)
InChIKeyOTAWGZAIGKILFG-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5308018
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307927
N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892385
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 92875714
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
CID 92714761
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 28886755
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892369) is N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1ccc(CNC(=O)Cn2cc3c(n2)CCC(C)C3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is OTAWGZAIGKILFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-3-6-15(7-4-13)10-19-18(22)12-21-11-16-9-14(2)5-8-17(16)20-21/h3-4,6-7,11,14H,5,8-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).