N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide

C26H26N2O2 — CID 132819605

IUPACN-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide
SMILESCC1(C)c2ccccc2N(C(=O)Cc2ccccc2)C1C(=O)NCc1ccccc1
InChIInChI=1S/C26H26N2O2/c1-26(2)21-15-9-10-16-22(21)28(23(29)17-19-11-5-3-6-12-19)24(26)25(30)27-18-20-13-7-4-8-14-20/h3-16,24H,17-18H2,1-2H3,(H,27,30)
InChIKeyTXMMCQFYTHQERV-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.24
Rot. Bonds5

About N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide

N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide (PubChem CID 132819605) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide
PubChem CID132819605
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide
SMILESCC1(C)c2ccccc2N(C(=O)Cc2ccccc2)C1C(=O)NCc1ccccc1
InChIInChI=1S/C26H26N2O2/c1-26(2)21-15-9-10-16-22(21)28(23(29)17-19-11-5-3-6-12-19)24(26)25(30)27-18-20-13-7-4-8-14-20/h3-16,24H,17-18H2,1-2H3,(H,27,30)
InChIKeyTXMMCQFYTHQERV-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[2-(2-hydroxy-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]carbamate
CID 101403228
(2S,5R,6R)-N-benzyl-6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
CID 46887754
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
16-(benzylcarbamoyl)-1,8-dibromotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 3105004
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
trans-(1S,3R)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6561280
1-benzyl-3-methylurea;ethane
CID 90763782
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 56950772
1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 44514525
trans-(1S,3R)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 721280
N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131640592

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide?
The IUPAC name of N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide (CID 132819605) is N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide is CC1(C)c2ccccc2N(C(=O)Cc2ccccc2)C1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide?
The InChIKey is TXMMCQFYTHQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-26(2)21-15-9-10-16-22(21)28(23(29)17-19-11-5-3-6-12-19)24(26)25(30)27-18-20-13-7-4-8-14-20/h3-16,24H,17-18H2,1-2H3,(H,27,30).
What are the key properties of N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide?
N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-dimethyl-1-(2-phenylacetyl)-2H-indole-2-carboxamide is sourced from PubChem (CID 132819605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).