2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone

C25H24N2O — CID 174330316

IUPAC2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone
SMILESCN(Cc1ccccc1)C(C(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H24N2O/c1-26-18-22(21-15-9-10-16-23(21)26)25(28)24(20-13-7-4-8-14-20)27(2)17-19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3
InChIKeyDIIXQKOPBQGJDO-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.23
Rot. Bonds6

About 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone

2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone (PubChem CID 174330316) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone
PubChem CID174330316
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone
SMILESCN(Cc1ccccc1)C(C(=O)c1cn(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C25H24N2O/c1-26-18-22(21-15-9-10-16-23(21)26)25(28)24(20-13-7-4-8-14-20)27(2)17-19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3
InChIKeyDIIXQKOPBQGJDO-UHFFFAOYSA-N
XLogP5.23
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 113207712
2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 16568385
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 18385421
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone (CID 174330316) is 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone is CN(Cc1ccccc1)C(C(=O)c1cn(C)c2ccccc12)c1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone?
The InChIKey is DIIXQKOPBQGJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-26-18-22(21-15-9-10-16-23(21)26)25(28)24(20-13-7-4-8-14-20)27(2)17-19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone?
2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone has a molecular weight of 368.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone is sourced from PubChem (CID 174330316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).