4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide

C19H20N2O2 — CID 175327218

IUPAC4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
SMILESCCn1c(C)c(C(N)=O)c2c(Cc3ccccc3)c(O)ccc21
InChIInChI=1S/C19H20N2O2/c1-3-21-12(2)17(19(20)23)18-14(16(22)10-9-15(18)21)11-13-7-5-4-6-8-13/h4-10,22H,3,11H2,1-2H3,(H2,20,23)
InChIKeyWWWSCKTUXCFANB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds4

About 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide

4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide (PubChem CID 175327218) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
PubChem CID175327218
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
SMILESCCn1c(C)c(C(N)=O)c2c(Cc3ccccc3)c(O)ccc21
InChIInChI=1S/C19H20N2O2/c1-3-21-12(2)17(19(20)23)18-14(16(22)10-9-15(18)21)11-13-7-5-4-6-8-13/h4-10,22H,3,11H2,1-2H3,(H2,20,23)
InChIKeyWWWSCKTUXCFANB-UHFFFAOYSA-N
XLogP3.36
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
CID 3852732
1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
CID 3843286
4-(1-benzyl-3-carbamoyl-2,4-dimethylindol-5-yl)oxybutanoic acid
CID 54108878
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
1-benzyl-5-hydroxy-2-methyl-N-octyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 19844544
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
9-ethyl-5-hydroxycarbazole-4-carboxamide
CID 59934183
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
3-acetamido-2-benzyl-4-hydroxybenzoic acid
CID 146409348
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-1-(2-methoxy-2-oxoethyl)-2-methylindole-3-carboxylate;hydrochloride
CID 90485730
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4669918

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
The IUPAC name of 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide (CID 175327218) is 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
The canonical SMILES for 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide is CCn1c(C)c(C(N)=O)c2c(Cc3ccccc3)c(O)ccc21.
What is the InChIKey of 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
The InChIKey is WWWSCKTUXCFANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-21-12(2)17(19(20)23)18-14(16(22)10-9-15(18)21)11-13-7-5-4-6-8-13/h4-10,22H,3,11H2,1-2H3,(H2,20,23).
What are the key properties of 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 175327218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).