N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide

C27H35N3O2 — CID 12043919

IUPACN-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC12CN(CCc3ccccc3)CCC1CN(C(C)=O)C2)c1ccccc1
InChIInChI=1S/C27H35N3O2/c1-3-26(32)30(25-12-8-5-9-13-25)21-27-19-28(16-14-23-10-6-4-7-11-23)17-15-24(27)18-29(20-27)22(2)31/h4-13,24H,3,14-21H2,1-2H3
InChIKeyGITPFYZDRDUNMO-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.84
Rot. Bonds7

About N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide

N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide (PubChem CID 12043919) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide
PubChem CID12043919
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC12CN(CCc3ccccc3)CCC1CN(C(C)=O)C2)c1ccccc1
InChIInChI=1S/C27H35N3O2/c1-3-26(32)30(25-12-8-5-9-13-25)21-27-19-28(16-14-23-10-6-4-7-11-23)17-15-24(27)18-29(20-27)22(2)31/h4-13,24H,3,14-21H2,1-2H3
InChIKeyGITPFYZDRDUNMO-UHFFFAOYSA-N
XLogP3.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide with MolForge

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Related Compounds

N-[(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methyl]-N-phenylpropanamide
CID 23449356
N-[[2-benzyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-2-fluoroaniline;N-[[2-benzyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-(2-fluorophenyl)propanamide
CID 159276134
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-[3-acetyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;N-phenyl-N-[1-(2-phenylethyl)-3-propanoylpiperidin-4-yl]propanamide
CID 157116198
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
CID 3060235
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567

Frequently Asked Questions

What is the IUPAC name of N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide (CID 12043919) is N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC12CN(CCc3ccccc3)CCC1CN(C(C)=O)C2)c1ccccc1.
What is the InChIKey of N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide?
The InChIKey is GITPFYZDRDUNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-3-26(32)30(25-12-8-5-9-13-25)21-27-19-28(16-14-23-10-6-4-7-11-23)17-15-24(27)18-29(20-27)22(2)31/h4-13,24H,3,14-21H2,1-2H3.
What are the key properties of N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide?
N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide has a molecular weight of 433.60 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-acetyl-5-(2-phenylethyl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 12043919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).