N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide

C22H25N3O2 — CID 134077318

IUPACN-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2CNCC2c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-15(26)24-20(11-16-7-3-2-4-8-16)22(27)25-14-17-12-23-13-19(17)18-9-5-6-10-21(18)25/h2-10,17,19-20,23H,11-14H2,1H3,(H,24,26)/t17?,19?,20-/m0/s1
InChIKeyBFTQAMLWUFZODD-UUKMXZOPSA-N
MW363.46 g/mol
LogP2.08
Rot. Bonds4

About N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide

N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 134077318) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide
PubChem CID134077318
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2CNCC2c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-15(26)24-20(11-16-7-3-2-4-8-16)22(27)25-14-17-12-23-13-19(17)18-9-5-6-10-21(18)25/h2-10,17,19-20,23H,11-14H2,1H3,(H,24,26)/t17?,19?,20-/m0/s1
InChIKeyBFTQAMLWUFZODD-UUKMXZOPSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 131673733
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
CID 92529724
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
(2R)-2-[(2-acetamido-3-phenylpropanoyl)amino]pentanedioic acid
CID 173435460
(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 162410531
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide (CID 134077318) is N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2CNCC2c2ccccc21.
What is the InChIKey of N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
The InChIKey is BFTQAMLWUFZODD-UUKMXZOPSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(26)24-20(11-16-7-3-2-4-8-16)22(27)25-14-17-12-23-13-19(17)18-9-5-6-10-21(18)25/h2-10,17,19-20,23H,11-14H2,1H3,(H,24,26)/t17?,19?,20-/m0/s1.
What are the key properties of N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide?
N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 134077318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).