2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide

C34H39N3O3 — CID 59715192

IUPAC2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
SMILESCC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(C4)C(=O)C(C6)C5)cc3)[nH]c2c1
InChIInChI=1S/C34H39N3O3/c1-20-4-2-3-5-28(20)33(40)36-27-11-8-23-14-29(37-30(23)15-27)22-6-9-26(10-7-22)35-19-31(38)34-16-21-12-24(17-34)32(39)25(13-21)18-34/h6-11,14-15,20-21,24-25,28,35,37H,2-5,12-13,16-19H2,1H3,(H,36,40)
InChIKeyBVXIVCGXKLUIFH-UHFFFAOYSA-N
MW537.70 g/mol
LogP6.98
Rot. Bonds7

About 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide

2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide (PubChem CID 59715192) has the molecular formula C34H39N3O3 and a molecular weight of 537.70 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
PubChem CID59715192
Molecular FormulaC34H39N3O3
Molecular Weight537.70 g/mol
Exact Mass537.30
IUPAC Name2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
SMILESCC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(C4)C(=O)C(C6)C5)cc3)[nH]c2c1
InChIInChI=1S/C34H39N3O3/c1-20-4-2-3-5-28(20)33(40)36-27-11-8-23-14-29(37-30(23)15-27)22-6-9-26(10-7-22)35-19-31(38)34-16-21-12-24(17-34)32(39)25(13-21)18-34/h6-11,14-15,20-21,24-25,28,35,37H,2-5,12-13,16-19H2,1H3,(H,36,40)
InChIKeyBVXIVCGXKLUIFH-UHFFFAOYSA-N
XLogP6.98
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
CID 71100783
N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
CID 59715129
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972
N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
CID 59715215
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10049533
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
CID 59715091
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 160684453
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
1-(1-adamantyl)-2-(4-chloroanilino)ethanone
CID 59322088
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide (CID 59715192) is 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide is CC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(C4)C(=O)C(C6)C5)cc3)[nH]c2c1.
What is the InChIKey of 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
The InChIKey is BVXIVCGXKLUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O3/c1-20-4-2-3-5-28(20)33(40)36-27-11-8-23-14-29(37-30(23)15-27)22-6-9-26(10-7-22)35-19-31(38)34-16-21-12-24(17-34)32(39)25(13-21)18-34/h6-11,14-15,20-21,24-25,28,35,37H,2-5,12-13,16-19H2,1H3,(H,36,40).
What are the key properties of 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide has a molecular weight of 537.70 g/mol, XLogP of 6.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59715192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).