N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide

C20H21N3O2 — CID 46823002

IUPACN-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2c1C
InChIInChI=1S/C20H21N3O2/c1-13-14(2)21-18-10-9-15(11-17(13)18)20(25)23(3)12-19(24)22-16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,22,24)
InChIKeyBGWJIGLNCGAXCX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.50
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide

N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide (PubChem CID 46823002) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
PubChem CID46823002
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2c1C
InChIInChI=1S/C20H21N3O2/c1-13-14(2)21-18-10-9-15(11-17(13)18)20(25)23(3)12-19(24)22-16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,22,24)
InChIKeyBGWJIGLNCGAXCX-UHFFFAOYSA-N
XLogP3.50
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide
CID 31750558
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 34909087
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
(6R)-N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27226950
N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide (CID 46823002) is N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2c1C.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
The InChIKey is BGWJIGLNCGAXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-14(2)21-18-10-9-15(11-17(13)18)20(25)23(3)12-19(24)22-16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,22,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 46823002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).