2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone

C31H33N3O2 — CID 152898842

IUPAC2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C31H33N3O2/c32-29-9-8-24(22-4-2-1-3-5-22)18-26(29)21-30(35)27-19-25-10-11-34(13-12-33-14-16-36-17-15-33)31(25)28(20-27)23-6-7-23/h1-5,8-11,18-20,23H,6-7,12-17,21,32H2
InChIKeyUEXUSKKTGUQUFO-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.53
Rot. Bonds8

About 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone

2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone (PubChem CID 152898842) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
PubChem CID152898842
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C31H33N3O2/c32-29-9-8-24(22-4-2-1-3-5-22)18-26(29)21-30(35)27-19-25-10-11-34(13-12-33-14-16-36-17-15-33)31(25)28(20-27)23-6-7-23/h1-5,8-11,18-20,23H,6-7,12-17,21,32H2
InChIKeyUEXUSKKTGUQUFO-UHFFFAOYSA-N
XLogP5.53
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone with MolForge

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Related Compounds

5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 153183619
2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
CID 149000250
3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
CID 90128383
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 90128431
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
2-(2-amino-5-phenylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 158909763
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
CID 144829094
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-3-prop-2-enylindol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
CID 160565573
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 90607241

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone (CID 152898842) is 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone is Nc1ccc(-c2ccccc2)cc1CC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
The InChIKey is UEXUSKKTGUQUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c32-29-9-8-24(22-4-2-1-3-5-22)18-26(29)21-30(35)27-19-25-10-11-34(13-12-33-14-16-36-17-15-33)31(25)28(20-27)23-6-7-23/h1-5,8-11,18-20,23H,6-7,12-17,21,32H2.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone?
2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone has a molecular weight of 479.62 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone is sourced from PubChem (CID 152898842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).