N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide

C19H25ClN2O3 — CID 134713771

IUPACN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1
InChIInChI=1S/C19H25ClN2O3/c1-12-6-15(20)4-5-17(12)25-11-19(24)22(3)16-7-13-9-18(23)21(2)10-14(13)8-16/h4-6,13-14,16H,7-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKeyMPFWJDUIKHDEQO-IJEWVQPXSA-N
MW364.87 g/mol
LogP2.74
Rot. Bonds4

About N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide (PubChem CID 134713771) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
PubChem CID134713771
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1
InChIInChI=1S/C19H25ClN2O3/c1-12-6-15(20)4-5-17(12)25-11-19(24)22(3)16-7-13-9-18(23)21(2)10-14(13)8-16/h4-6,13-14,16H,7-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKeyMPFWJDUIKHDEQO-IJEWVQPXSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide with MolForge

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Related Compounds

N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(2-aminoethoxy)-5-chloro-N-methylbenzamide
CID 162627291
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N,5-dimethylbenzamide
CID 134711890
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
2-(4-chloro-2-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403806
4-[2-(4-chloro-2-methylphenoxy)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32502691
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 134701040
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N-methylpyridine-4-carboxamide
CID 134696883
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-4-propoxybenzamide
CID 162632505
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764706
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide?
The IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide (CID 134713771) is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide?
The canonical SMILES for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide is Cc1cc(Cl)ccc1OCC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide?
The InChIKey is MPFWJDUIKHDEQO-IJEWVQPXSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-12-6-15(20)4-5-17(12)25-11-19(24)22(3)16-7-13-9-18(23)21(2)10-14(13)8-16/h4-6,13-14,16H,7-11H2,1-3H3/t13-,14+,16-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide?
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide has a molecular weight of 364.87 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(4-chloro-2-methylphenoxy)-N-methylacetamide is sourced from PubChem (CID 134713771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).