N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide

C33H39N3O2 — CID 59715129

IUPACN-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C33H39N3O2/c37-31(33-17-21-12-22(18-33)14-23(13-21)19-33)20-34-27-9-6-24(7-10-27)29-15-26-8-11-28(16-30(26)36-29)35-32(38)25-4-2-1-3-5-25/h6-11,15-16,21-23,25,34,36H,1-5,12-14,17-20H2,(H,35,38)
InChIKeyXGQFUZKRHZKYQS-UHFFFAOYSA-N
MW509.69 g/mol
LogP7.55
Rot. Bonds7

About N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide

N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide (PubChem CID 59715129) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
PubChem CID59715129
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC NameN-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C33H39N3O2/c37-31(33-17-21-12-22(18-33)14-23(13-21)19-33)20-34-27-9-6-24(7-10-27)29-15-26-8-11-28(16-30(26)36-29)35-32(38)25-4-2-1-3-5-25/h6-11,15-16,21-23,25,34,36H,1-5,12-14,17-20H2,(H,35,38)
InChIKeyXGQFUZKRHZKYQS-UHFFFAOYSA-N
XLogP7.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 57.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
CID 59715192
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
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-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972
N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
CID 59715101
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
1-(1-adamantyl)-2-(4-chloroanilino)ethanone
CID 59322088
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclopentanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;bis(N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide);N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 160657271
N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
CID 59715215
4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 158726481

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide (CID 59715129) is N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide is O=C(Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1)C1CCCCC1.
What is the InChIKey of N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide?
The InChIKey is XGQFUZKRHZKYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O2/c37-31(33-17-21-12-22(18-33)14-23(13-21)19-33)20-34-27-9-6-24(7-10-27)29-15-26-8-11-28(16-30(26)36-29)35-32(38)25-4-2-1-3-5-25/h6-11,15-16,21-23,25,34,36H,1-5,12-14,17-20H2,(H,35,38).
What are the key properties of N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide?
N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide has a molecular weight of 509.69 g/mol, XLogP of 7.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide is sourced from PubChem (CID 59715129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).