N-benzyl-N,1-dimethylindole-2-carboxamide

C18H18N2O — CID 44588040

IUPACN-benzyl-N,1-dimethylindole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C18H18N2O/c1-19(13-14-8-4-3-5-9-14)18(21)17-12-15-10-6-7-11-16(15)20(17)2/h3-12H,13H2,1-2H3
InChIKeyNCFUNJXRSOGZLM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.45
Rot. Bonds3

About N-benzyl-N,1-dimethylindole-2-carboxamide

N-benzyl-N,1-dimethylindole-2-carboxamide (PubChem CID 44588040) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-benzyl-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,1-dimethylindole-2-carboxamide
PubChem CID44588040
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-benzyl-N,1-dimethylindole-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C18H18N2O/c1-19(13-14-8-4-3-5-9-14)18(21)17-12-15-10-6-7-11-16(15)20(17)2/h3-12H,13H2,1-2H3
InChIKeyNCFUNJXRSOGZLM-UHFFFAOYSA-N
XLogP3.45
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-benzyl-N,1-dimethylindole-2-carboxamide (CID 44588040) is N-benzyl-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-benzyl-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-benzyl-N,1-dimethylindole-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-benzyl-N,1-dimethylindole-2-carboxamide?
The InChIKey is NCFUNJXRSOGZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-19(13-14-8-4-3-5-9-14)18(21)17-12-15-10-6-7-11-16(15)20(17)2/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,1-dimethylindole-2-carboxamide?
N-benzyl-N,1-dimethylindole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 44588040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).