1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide

C18H18N2O2 — CID 3852732

IUPAC1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
SMILESCc1cc2c(cc1O)c(C(N)=O)c(C)n2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-11-8-15-14(9-16(11)21)17(18(19)22)12(2)20(15)10-13-6-4-3-5-7-13/h3-9,21H,10H2,1-2H3,(H2,19,22)
InChIKeyJACPKSAJAIKXAU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.11
Rot. Bonds3

About 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide

1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide (PubChem CID 3852732) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
PubChem CID3852732
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
SMILESCc1cc2c(cc1O)c(C(N)=O)c(C)n2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-11-8-15-14(9-16(11)21)17(18(19)22)12(2)20(15)10-13-6-4-3-5-7-13/h3-9,21H,10H2,1-2H3,(H2,19,22)
InChIKeyJACPKSAJAIKXAU-UHFFFAOYSA-N
XLogP3.11
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
CID 3843286
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
CID 3790292
1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 3620214
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
2-(1-benzyl-6-chloro-5-hydroxy-2-methylindol-3-yl)acetic acid;ethane
CID 91341000
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
CID 90073694
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
1-benzyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 154381681

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide?
The IUPAC name of 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide (CID 3852732) is 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide is Cc1cc2c(cc1O)c(C(N)=O)c(C)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide?
The InChIKey is JACPKSAJAIKXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-8-15-14(9-16(11)21)17(18(19)22)12(2)20(15)10-13-6-4-3-5-7-13/h3-9,21H,10H2,1-2H3,(H2,19,22).
What are the key properties of 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide?
1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide is sourced from PubChem (CID 3852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).