2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide

C20H28N2O4 — CID 71889428

IUPAC2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCC(C)C3CCCCC32)ccc1OCC(N)=O
InChIInChI=1S/C20H28N2O4/c1-13-9-10-22(16-6-4-3-5-15(13)16)20(24)14-7-8-17(18(11-14)25-2)26-12-19(21)23/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H2,21,23)
InChIKeyAKUVATRUEJZYFQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide

2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide (PubChem CID 71889428) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
PubChem CID71889428
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCC(C)C3CCCCC32)ccc1OCC(N)=O
InChIInChI=1S/C20H28N2O4/c1-13-9-10-22(16-6-4-3-5-15(13)16)20(24)14-7-8-17(18(11-14)25-2)26-12-19(21)23/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H2,21,23)
InChIKeyAKUVATRUEJZYFQ-UHFFFAOYSA-N
XLogP2.60
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide with MolForge

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Related Compounds

2-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methoxyphenoxy]acetamide
CID 94809319
(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60945512
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 114326014
2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 119136071
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
CID 94797465
(3-bromo-4-chlorophenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 107999426
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 99212282
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide (CID 71889428) is 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide is COc1cc(C(=O)N2CCC(C)C3CCCCC32)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
The InChIKey is AKUVATRUEJZYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-9-10-22(16-6-4-3-5-15(13)16)20(24)14-7-8-17(18(11-14)25-2)26-12-19(21)23/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H2,21,23).
What are the key properties of 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 71889428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).