N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide

C24H34N2O3 — CID 98127607

IUPACN,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
SMILESO=C1[C@@H]2[C@H](C(=O)N1CCC(=O)N(C1CCCCC1)C1CCCCC1)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C24H34N2O3/c27-20(26(18-7-3-1-4-8-18)19-9-5-2-6-10-19)13-14-25-23(28)21-16-11-12-17(15-16)22(21)24(25)29/h11-12,16-19,21-22H,1-10,13-15H2/t16-,17-,21-,22+/m0/s1
InChIKeyPCZTXKYXZUXLDA-KLDKWKSESA-N
MW398.55 g/mol
LogP3.68
Rot. Bonds5

About N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide

N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide (PubChem CID 98127607) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
PubChem CID98127607
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
SMILESO=C1[C@@H]2[C@H](C(=O)N1CCC(=O)N(C1CCCCC1)C1CCCCC1)[C@H]1C=C[C@H]2C1
InChIInChI=1S/C24H34N2O3/c27-20(26(18-7-3-1-4-8-18)19-9-5-2-6-10-19)13-14-25-23(28)21-16-11-12-17(15-16)22(21)24(25)29/h11-12,16-19,21-22H,1-10,13-15H2/t16-,17-,21-,22+/m0/s1
InChIKeyPCZTXKYXZUXLDA-KLDKWKSESA-N
XLogP3.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-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 N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide?
The IUPAC name of N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide (CID 98127607) is N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide.
What is the SMILES notation for N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide?
The canonical SMILES for N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide is O=C1[C@@H]2[C@H](C(=O)N1CCC(=O)N(C1CCCCC1)C1CCCCC1)[C@H]1C=C[C@H]2C1.
What is the InChIKey of N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide?
The InChIKey is PCZTXKYXZUXLDA-KLDKWKSESA-N. The full InChI is InChI=1S/C24H34N2O3/c27-20(26(18-7-3-1-4-8-18)19-9-5-2-6-10-19)13-14-25-23(28)21-16-11-12-17(15-16)22(21)24(25)29/h11-12,16-19,21-22H,1-10,13-15H2/t16-,17-,21-,22+/m0/s1.
What are the key properties of N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide?
N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide is sourced from PubChem (CID 98127607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).