N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide

C25H23N3O2 — CID 46418266

IUPACN-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H23N3O2/c1-27(18-24(29)26-20-12-6-3-7-13-20)25(30)22-17-28(16-19-10-4-2-5-11-19)23-15-9-8-14-21(22)23/h2-15,17H,16,18H2,1H3,(H,26,29)
InChIKeyXXYSBMQTQZSGSR-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.40
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide

N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide (PubChem CID 46418266) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
PubChem CID46418266
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C25H23N3O2/c1-27(18-24(29)26-20-12-6-3-7-13-20)25(30)22-17-28(16-19-10-4-2-5-11-19)23-15-9-8-14-21(22)23/h2-15,17H,16,18H2,1H3,(H,26,29)
InChIKeyXXYSBMQTQZSGSR-UHFFFAOYSA-N
XLogP4.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
1-benzyl-N-[[4-(3-bromo-4-hydroxyphenyl)phenyl]methyl]-N-methylindole-3-carboxamide
CID 68859841
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
CID 657635
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 55653979
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide (CID 46418266) is N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide?
The InChIKey is XXYSBMQTQZSGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-27(18-24(29)26-20-12-6-3-7-13-20)25(30)22-17-28(16-19-10-4-2-5-11-19)23-15-9-8-14-21(22)23/h2-15,17H,16,18H2,1H3,(H,26,29).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide?
N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide is sourced from PubChem (CID 46418266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).