(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide

C25H31N3O2 — CID 165405553

IUPAC(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C25H31N3O2/c1-28(2)21(13-17-8-11-23-20(12-17)14-25(30)27-23)16-26-24(29)15-22(19-9-10-19)18-6-4-3-5-7-18/h3-8,11-12,19,21-22H,9-10,13-16H2,1-2H3,(H,26,29)(H,27,30)/t21-,22-/m0/s1
InChIKeySDNIQYHSCSHDQL-VXKWHMMOSA-N
MW405.54 g/mol
LogP3.35
Rot. Bonds9

About (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide

(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide (PubChem CID 165405553) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide
PubChem CID165405553
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C25H31N3O2/c1-28(2)21(13-17-8-11-23-20(12-17)14-25(30)27-23)16-26-24(29)15-22(19-9-10-19)18-6-4-3-5-7-18/h3-8,11-12,19,21-22H,9-10,13-16H2,1-2H3,(H,26,29)(H,27,30)/t21-,22-/m0/s1
InChIKeySDNIQYHSCSHDQL-VXKWHMMOSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide (CID 165405553) is (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide is CN(C)[C@H](CNC(=O)C[C@@H](c1ccccc1)C1CC1)Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide?
The InChIKey is SDNIQYHSCSHDQL-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-28(2)21(13-17-8-11-23-20(12-17)14-25(30)27-23)16-26-24(29)15-22(19-9-10-19)18-6-4-3-5-7-18/h3-8,11-12,19,21-22H,9-10,13-16H2,1-2H3,(H,26,29)(H,27,30)/t21-,22-/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide?
(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide has a molecular weight of 405.54 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 165405553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).