N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide

C18H18N2O — CID 61063579

IUPACN-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O/c1-12-8-13(2)10-15(9-12)20(3)18(21)17-11-14-6-4-5-7-16(14)19-17/h4-11,19H,1-3H3
InChIKeyDTKYVAZEEXQOMK-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.06
Rot. Bonds2

About N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide

N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 61063579) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
PubChem CID61063579
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N2O/c1-12-8-13(2)10-15(9-12)20(3)18(21)17-11-14-6-4-5-7-16(14)19-17/h4-11,19H,1-3H3
InChIKeyDTKYVAZEEXQOMK-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 ≤ 500278.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-1H-indole-2-carboxamide
CID 28739354
N-methyl-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 106936736
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
(3,5-dimethylphenyl) 1H-indole-2-carboxylate
CID 150748218
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007
N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 43611577

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide (CID 61063579) is N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2cc3ccccc3[nH]2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is DTKYVAZEEXQOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-13(2)10-15(9-12)20(3)18(21)17-11-14-6-4-5-7-16(14)19-17/h4-11,19H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide?
N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 278.36 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-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 61063579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).