1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one

C21H26N2O2 — CID 141155540

IUPAC1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1cn(-c2cccc(NC3CCC(O)CC3)c2)c2c1C(=O)CCC2
InChIInChI=1S/C21H26N2O2/c1-14-13-23(19-6-3-7-20(25)21(14)19)17-5-2-4-16(12-17)22-15-8-10-18(24)11-9-15/h2,4-5,12-13,15,18,22,24H,3,6-11H2,1H3
InChIKeyLRORCPTYGCAGJX-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.02
Rot. Bonds3

About 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one

1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 141155540) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID141155540
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1cn(-c2cccc(NC3CCC(O)CC3)c2)c2c1C(=O)CCC2
InChIInChI=1S/C21H26N2O2/c1-14-13-23(19-6-3-7-20(25)21(14)19)17-5-2-4-16(12-17)22-15-8-10-18(24)11-9-15/h2,4-5,12-13,15,18,22,24H,3,6-11H2,1H3
InChIKeyLRORCPTYGCAGJX-UHFFFAOYSA-N
XLogP4.02
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
CID 141155579
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593822
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]propanamide
CID 106593504
4-(5-ethyl-3,6,6-trimethyl-4-oxo-7H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 142704228
[4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] acetate
CID 66952698
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 106593465
4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033690
2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952603
[4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] 2-aminoacetate
CID 11854436
8-[(4-hydroxycyclohexyl)amino]-6-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)-3-propan-2-yl-2H-isoquinolin-1-one
CID 174355628

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one (CID 141155540) is 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one is Cc1cn(-c2cccc(NC3CCC(O)CC3)c2)c2c1C(=O)CCC2.
What is the InChIKey of 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is LRORCPTYGCAGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-13-23(19-6-3-7-20(25)21(14)19)17-5-2-4-16(12-17)22-15-8-10-18(24)11-9-15/h2,4-5,12-13,15,18,22,24H,3,6-11H2,1H3.
What are the key properties of 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one?
1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-hydroxycyclohexyl)amino]phenyl]-3-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141155540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).