N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide

C18H18N2O2 — CID 146122582

IUPACN-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cccc2c1ccn2C
InChIInChI=1S/C18H18N2O2/c1-19-10-9-15-16(7-4-8-17(15)19)18(22)20(2)12-13-5-3-6-14(21)11-13/h3-11,21H,12H2,1-2H3
InChIKeyQMQIBMLXDWFRGF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.16
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide

N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide (PubChem CID 146122582) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
PubChem CID146122582
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1cccc2c1ccn2C
InChIInChI=1S/C18H18N2O2/c1-19-10-9-15-16(7-4-8-17(15)19)18(22)20(2)12-13-5-3-6-14(21)11-13/h3-11,21H,12H2,1-2H3
InChIKeyQMQIBMLXDWFRGF-UHFFFAOYSA-N
XLogP3.16
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-[(3-methylphenyl)methyl]indole-4-carboxamide
CID 146122633
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47340324
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
CID 77085780
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide (CID 146122582) is N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1cccc2c1ccn2C.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide?
The InChIKey is QMQIBMLXDWFRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19-10-9-15-16(7-4-8-17(15)19)18(22)20(2)12-13-5-3-6-14(21)11-13/h3-11,21H,12H2,1-2H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N,1-dimethylindole-4-carboxamide is sourced from PubChem (CID 146122582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).