N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide

C20H24N2O2 — CID 111480381

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C20H24N2O2/c1-13(23)11-20(2,3)12-21-19(24)18-10-16-15-7-5-4-6-14(15)8-9-17(16)22-18/h4-10,13,22-23H,11-12H2,1-3H3,(H,21,24)
InChIKeyGJUTXGRKNZIHFY-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide (PubChem CID 111480381) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
PubChem CID111480381
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1
InChIInChI=1S/C20H24N2O2/c1-13(23)11-20(2,3)12-21-19(24)18-10-16-15-7-5-4-6-14(15)8-9-17(16)22-18/h4-10,13,22-23H,11-12H2,1-3H3,(H,21,24)
InChIKeyGJUTXGRKNZIHFY-UHFFFAOYSA-N
XLogP3.85
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
CID 71889496
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 111480109
3H-benzo[e]indole-2-carboxamide
CID 69052139
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
N-[2-(trifluoromethyl)cyclohexyl]-3H-benzo[e]indole-2-carboxamide
CID 51114733
N-(3-acetamido-4-methylphenyl)-3H-benzo[e]indole-2-carboxamide
CID 87019067
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide (CID 111480381) is N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide?
The InChIKey is GJUTXGRKNZIHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(23)11-20(2,3)12-21-19(24)18-10-16-15-7-5-4-6-14(15)8-9-17(16)22-18/h4-10,13,22-23H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 111480381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).