N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide

C19H19N3O2 — CID 9374474

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-7-9-15(10-8-13)20-18(23)12-22(2)19(24)17-11-14-5-3-4-6-16(14)21-17/h3-11,21H,12H2,1-2H3,(H,20,23)
InChIKeyFXJDYFAWRQPPNR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 9374474) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID9374474
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-7-9-15(10-8-13)20-18(23)12-22(2)19(24)17-11-14-5-3-4-6-16(14)21-17/h3-11,21H,12H2,1-2H3,(H,20,23)
InChIKeyFXJDYFAWRQPPNR-UHFFFAOYSA-N
XLogP3.19
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 60712381
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 26308926
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 55559726
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38769661
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 31936268
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-(3,5-dimethylphenyl)-N-methyl-1H-indole-2-carboxamide
CID 61063579

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide (CID 9374474) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is FXJDYFAWRQPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-9-15(10-8-13)20-18(23)12-22(2)19(24)17-11-14-5-3-4-6-16(14)21-17/h3-11,21H,12H2,1-2H3,(H,20,23).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 9374474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).