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

C18H18N2O — CID 113205033

IUPACN,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H18N2O/c1-12-9-10-15-13(2)17(19-16(15)11-12)18(21)20(3)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChIKeyJARMTWUVASQORE-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.06
Rot. Bonds2

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

N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide (PubChem CID 113205033) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
PubChem CID113205033
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC NameN,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H18N2O/c1-12-9-10-15-13(2)17(19-16(15)11-12)18(21)20(3)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChIKeyJARMTWUVASQORE-UHFFFAOYSA-N
XLogP4.06
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
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-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974
N-butyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113205023
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
4-hydroxy-N-methyl-1-oxo-N-phenyl-2H-isoquinoline-3-carboxamide
CID 54723896
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204978
N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide (CID 113205033) is N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(C)c3ccccc3)[nH]c2c1.
What is the InChIKey of N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide?
The InChIKey is JARMTWUVASQORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-9-10-15-13(2)17(19-16(15)11-12)18(21)20(3)14-7-5-4-6-8-14/h4-11,19H,1-3H3.
What are the key properties of N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide?
N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).