N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide

C18H18N2O2 — CID 4905426

IUPACN-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)18(21)17-10-14-8-9-15(22-2)11-16(14)19-17/h3-11,19H,12H2,1-2H3
InChIKeyOYMHFIYQOFPTEZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.45
Rot. Bonds4

About N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide

N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 4905426) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID4905426
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)18(21)17-10-14-8-9-15(22-2)11-16(14)19-17/h3-11,19H,12H2,1-2H3
InChIKeyOYMHFIYQOFPTEZ-UHFFFAOYSA-N
XLogP3.45
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide (CID 4905426) is N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2c1.
What is the InChIKey of N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is OYMHFIYQOFPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)18(21)17-10-14-8-9-15(22-2)11-16(14)19-17/h3-11,19H,12H2,1-2H3.
What are the key properties of N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide?
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 4905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).