2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide

C33H29N3O2 — CID 134146773

IUPAC2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1ccccc1C
InChIInChI=1S/C33H29N3O2/c1-3-27(28-15-8-7-10-22(28)2)33(38)34-26-14-9-13-24(20-26)32(37)25-17-18-29-30(35-36-31(29)21-25)19-16-23-11-5-4-6-12-23/h4-21,27H,3H2,1-2H3,(H,34,38)(H,35,36)/b19-16+
InChIKeyAPHMBSRAFIBXLP-KNTRCKAVSA-N
MW499.61 g/mol
LogP7.41
Rot. Bonds8

About 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide

2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide (PubChem CID 134146773) has the molecular formula C33H29N3O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
PubChem CID134146773
Molecular FormulaC33H29N3O2
Molecular Weight499.61 g/mol
Exact Mass499.23
IUPAC Name2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1ccccc1C
InChIInChI=1S/C33H29N3O2/c1-3-27(28-15-8-7-10-22(28)2)33(38)34-26-14-9-13-24(20-26)32(37)25-17-18-29-30(35-36-31(29)21-25)19-16-23-11-5-4-6-12-23/h4-21,27H,3H2,1-2H3,(H,34,38)(H,35,36)/b19-16+
InChIKeyAPHMBSRAFIBXLP-KNTRCKAVSA-N
XLogP7.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-3,3-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134138437
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 22978337
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
(E)-2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide
CID 134151491
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
(3-aminophenyl)-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanol;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 158718696
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
CID 134152211
4-oxo-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyran-2-carboxamide
CID 134145225
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide
CID 134137572
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide?
The IUPAC name of 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide (CID 134146773) is 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide is CCC(C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide?
The InChIKey is APHMBSRAFIBXLP-KNTRCKAVSA-N. The full InChI is InChI=1S/C33H29N3O2/c1-3-27(28-15-8-7-10-22(28)2)33(38)34-26-14-9-13-24(20-26)32(37)25-17-18-29-30(35-36-31(29)21-25)19-16-23-11-5-4-6-12-23/h4-21,27H,3H2,1-2H3,(H,34,38)(H,35,36)/b19-16+.
What are the key properties of 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide?
2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide has a molecular weight of 499.61 g/mol, XLogP of 7.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide is sourced from PubChem (CID 134146773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).