N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide

C19H20N2O — CID 113204974

IUPACN-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H20N2O/c1-13-9-10-16-14(2)18(20-17(16)11-13)19(22)21(3)12-15-7-5-4-6-8-15/h4-11,20H,12H2,1-3H3
InChIKeyRMLWAMFLGSPNCC-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.06
Rot. Bonds3

About N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide

N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide (PubChem CID 113204974) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
PubChem CID113204974
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H20N2O/c1-13-9-10-16-14(2)18(20-17(16)11-13)19(22)21(3)12-15-7-5-4-6-8-15/h4-11,20H,12H2,1-3H3
InChIKeyRMLWAMFLGSPNCC-UHFFFAOYSA-N
XLogP4.06
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
CID 113205033
N-[(2-ethoxyphenyl)methyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 70731482
N-benzyl-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100579292
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 46961703
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide (CID 113204974) is N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(C)Cc3ccccc3)[nH]c2c1.
What is the InChIKey of N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide?
The InChIKey is RMLWAMFLGSPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-9-10-16-14(2)18(20-17(16)11-13)19(22)21(3)12-15-7-5-4-6-8-15/h4-11,20H,12H2,1-3H3.
What are the key properties of N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide?
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).