1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene

C97H117N7O4 — CID 159447198

IUPAC1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene
SMILESCC(C)C(=O)Nc1cccc(-c2ccccc2)c1.CC(C)C(=O)Nc1cccc(-c2cccnc2)c1.CC(C)Oc1cccc(CC(=O)C(C)C)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cnn([C@H](C)c2ccccc2)c1.Cc1ccccc1/C=C/C(C)C
InChIInChI=1S/C16H17NO.C15H16N2O.C15H16.C14H18N2.C14H20O2.C12H16.C11H14N2/c1-12(2)16(18)17-15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-11(2)15(18)17-14-7-3-5-12(9-14)13-6-4-8-16-10-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)14(15)9-12-6-5-7-13(8-12)16-11(3)4;1-10(2)8-9-12-7-5-4-6-11(12)3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9/h3-12H,1-2H3,(H,17,18);3-11H,1-2H3,(H,17,18);3-12H,1-2H3;4-12H,1-3H3;5-8,10-11H,9H2,1-4H3;4-10H,1-3H3;4-8H,1-3H3/b;;;;;9-8+;/t;;;12-;;;/m...1.../s1
InChIKeyLSXDDUQPYHAYTE-KFBZFDFESA-N
MW1445.05 g/mol
LogP24.99
Rot. Bonds19

About 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene

1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene (PubChem CID 159447198) has the molecular formula C97H117N7O4 and a molecular weight of 1445.05 g/mol. Its IUPAC name is 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene
PubChem CID159447198
Molecular FormulaC97H117N7O4
Molecular Weight1445.05 g/mol
Exact Mass1443.92
IUPAC Name1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene
SMILESCC(C)C(=O)Nc1cccc(-c2ccccc2)c1.CC(C)C(=O)Nc1cccc(-c2cccnc2)c1.CC(C)Oc1cccc(CC(=O)C(C)C)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cnn([C@H](C)c2ccccc2)c1.Cc1ccccc1/C=C/C(C)C
InChIInChI=1S/C16H17NO.C15H16N2O.C15H16.C14H18N2.C14H20O2.C12H16.C11H14N2/c1-12(2)16(18)17-15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-11(2)15(18)17-14-7-3-5-12(9-14)13-6-4-8-16-10-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)14(15)9-12-6-5-7-13(8-12)16-11(3)4;1-10(2)8-9-12-7-5-4-6-11(12)3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9/h3-12H,1-2H3,(H,17,18);3-11H,1-2H3,(H,17,18);3-12H,1-2H3;4-12H,1-3H3;5-8,10-11H,9H2,1-4H3;4-10H,1-3H3;4-8H,1-3H3/b;;;;;9-8+;/t;;;12-;;;/m...1.../s1
InChIKeyLSXDDUQPYHAYTE-KFBZFDFESA-N
XLogP24.99
TPSA133.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.05
LogP ≤ 524.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene?
The IUPAC name of 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene (CID 159447198) is 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene is CC(C)C(=O)Nc1cccc(-c2ccccc2)c1.CC(C)C(=O)Nc1cccc(-c2cccnc2)c1.CC(C)Oc1cccc(CC(=O)C(C)C)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cnn([C@H](C)c2ccccc2)c1.Cc1ccccc1/C=C/C(C)C.
What is the InChIKey of 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene?
The InChIKey is LSXDDUQPYHAYTE-KFBZFDFESA-N. The full InChI is InChI=1S/C16H17NO.C15H16N2O.C15H16.C14H18N2.C14H20O2.C12H16.C11H14N2/c1-12(2)16(18)17-15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-11(2)15(18)17-14-7-3-5-12(9-14)13-6-4-8-16-10-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)14(15)9-12-6-5-7-13(8-12)16-11(3)4;1-10(2)8-9-12-7-5-4-6-11(12)3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9/h3-12H,1-2H3,(H,17,18);3-11H,1-2H3,(H,17,18);3-12H,1-2H3;4-12H,1-3H3;5-8,10-11H,9H2,1-4H3;4-10H,1-3H3;4-8H,1-3H3/b;;;;;9-8+;/t;;;12-;;;/m...1.../s1.
What are the key properties of 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene?
1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene has a molecular weight of 1445.05 g/mol, XLogP of 24.99, 19 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;2-methyl-N-(3-pyridin-3-ylphenyl)propanamide;1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenyl-3-propan-2-ylbenzene is sourced from PubChem (CID 159447198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).