N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide

C22H25N3O — CID 20877585

IUPACN-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C22H25N3O/c1-16-11-13-18(14-12-16)23-21(26)15-25-20-10-6-5-9-19(20)22(24-25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,26)
InChIKeyTVLSMBAXXQCPTN-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.40
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide

N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide (PubChem CID 20877585) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
PubChem CID20877585
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C22H25N3O/c1-16-11-13-18(14-12-16)23-21(26)15-25-20-10-6-5-9-19(20)22(24-25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,26)
InChIKeyTVLSMBAXXQCPTN-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 6623641
N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 139000242
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
N-cyclopentyl-2-(8-methoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952333
N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3257818
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 20877615
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide
CID 46998627
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
CID 19588260
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7043085
1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
CID 20877555

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide (CID 20877585) is N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide is CC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
The InChIKey is TVLSMBAXXQCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-11-13-18(14-12-16)23-21(26)15-25-20-10-6-5-9-19(20)22(24-25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,26).
What are the key properties of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide is sourced from PubChem (CID 20877585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).