N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide

C23H26N2O3 — CID 135113679

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
SMILESCN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C23H26N2O3/c1-25(19-11-17-13-22(26)24-14-18(17)12-19)23(27)20-9-5-6-10-21(20)28-15-16-7-3-2-4-8-16/h2-10,17-19H,11-15H2,1H3,(H,24,26)/t17-,18+,19-/m1/s1
InChIKeyDUXURGFUWBMCRX-CEXWTWQISA-N
MW378.47 g/mol
LogP3.25
Rot. Bonds5

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide (PubChem CID 135113679) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
PubChem CID135113679
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
SMILESCN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C23H26N2O3/c1-25(19-11-17-13-22(26)24-14-18(17)12-19)23(27)20-9-5-6-10-21(20)28-15-16-7-3-2-4-8-16/h2-10,17-19H,11-15H2,1H3,(H,24,26)/t17-,18+,19-/m1/s1
InChIKeyDUXURGFUWBMCRX-CEXWTWQISA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide with MolForge

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Related Compounds

N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-(2-phenylethyl)acetamide
CID 135102952
2-[(4-chlorophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552537
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
CID 163306021
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 135109820
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-fluoro-3-hydroxy-N-methylbenzamide
CID 135099417
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 135115784
4-(3-phenylmethoxy-2-pyridinyl)pyrrolidin-2-one
CID 15110932
2-phenylmethoxybenzoyl chloride
CID 10999355
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 135106919
N-carbamoyl-N-cyclohexyl-2-phenylmethoxybenzamide
CID 174656216
2-[(2-bromophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553751

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide (CID 135113679) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide is CN(C(=O)c1ccccc1OCc1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide?
The InChIKey is DUXURGFUWBMCRX-CEXWTWQISA-N. The full InChI is InChI=1S/C23H26N2O3/c1-25(19-11-17-13-22(26)24-14-18(17)12-19)23(27)20-9-5-6-10-21(20)28-15-16-7-3-2-4-8-16/h2-10,17-19H,11-15H2,1H3,(H,24,26)/t17-,18+,19-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide has a molecular weight of 378.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide is sourced from PubChem (CID 135113679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).