N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide

C18H18N2O3 — CID 34866358

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O3/c1-22-14-7-8-17(23-2)13(9-14)11-19-18(21)16-10-12-5-3-4-6-15(12)20-16/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyIYSPQBULQJUOGE-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.12
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 34866358) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID34866358
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O3/c1-22-14-7-8-17(23-2)13(9-14)11-19-18(21)16-10-12-5-3-4-6-15(12)20-16/h3-10,20H,11H2,1-2H3,(H,19,21)
InChIKeyIYSPQBULQJUOGE-UHFFFAOYSA-N
XLogP3.12
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 71809971
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
[4-(1H-indole-2-carbonylamino)-3-methoxyphenyl] acetate
CID 160532757
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 34866358) is N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc(OC)c(CNC(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is IYSPQBULQJUOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-14-7-8-17(23-2)13(9-14)11-19-18(21)16-10-12-5-3-4-6-15(12)20-16/h3-10,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 34866358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).