(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

C24H28N4O3 — CID 171157887

IUPAC(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@H](C(=O)NCCN1CC2CC(C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H28N4O3/c1-16(27-15-18-5-2-3-6-20(18)24(27)31)23(30)25-9-10-26-12-17-11-19(14-26)21-7-4-8-22(29)28(21)13-17/h2-8,16-17,19H,9-15H2,1H3,(H,25,30)/t16-,17?,19?/m1/s1
InChIKeyQKOUNSHECBPHJA-LRYGQEGESA-N
MW420.51 g/mol
LogP1.43
Rot. Bonds5

About (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 171157887) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID171157887
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@H](C(=O)NCCN1CC2CC(C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H28N4O3/c1-16(27-15-18-5-2-3-6-20(18)24(27)31)23(30)25-9-10-26-12-17-11-19(14-26)21-7-4-8-22(29)28(21)13-17/h2-8,16-17,19H,9-15H2,1H3,(H,25,30)/t16-,17?,19?/m1/s1
InChIKeyQKOUNSHECBPHJA-LRYGQEGESA-N
XLogP1.43
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 171157887) is (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is C[C@H](C(=O)NCCN1CC2CC(C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is QKOUNSHECBPHJA-LRYGQEGESA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(27-15-18-5-2-3-6-20(18)24(27)31)23(30)25-9-10-26-12-17-11-19(14-26)21-7-4-8-22(29)28(21)13-17/h2-8,16-17,19H,9-15H2,1H3,(H,25,30)/t16-,17?,19?/m1/s1.
What are the key properties of (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 171157887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).