N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

C21H28N2O3 — CID 129419658

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCn1c(=O)cc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc21
InChIInChI=1S/C21H28N2O3/c1-4-23-18-11-6-5-9-16(18)19(12-21(23)25)26-13-20(24)22-17-10-7-8-14(2)15(17)3/h5-6,9,11-12,14-15,17H,4,7-8,10,13H2,1-3H3,(H,22,24)/t14-,15-,17-/m1/s1
InChIKeyJAOXKAFDLUVVBS-BFYDXBDKSA-N
MW356.47 g/mol
LogP3.34
Rot. Bonds5

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (PubChem CID 129419658) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
PubChem CID129419658
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
SMILESCCn1c(=O)cc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc21
InChIInChI=1S/C21H28N2O3/c1-4-23-18-11-6-5-9-16(18)19(12-21(23)25)26-13-20(24)22-17-10-7-8-14(2)15(17)3/h5-6,9,11-12,14-15,17H,4,7-8,10,13H2,1-3H3,(H,22,24)/t14-,15-,17-/m1/s1
InChIKeyJAOXKAFDLUVVBS-BFYDXBDKSA-N
XLogP3.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide with MolForge

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Related Compounds

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 11889434
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20862000
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7377024
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide (CID 129419658) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is CCn1c(=O)cc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc21.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
The InChIKey is JAOXKAFDLUVVBS-BFYDXBDKSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-23-18-11-6-5-9-16(18)19(12-21(23)25)26-13-20(24)22-17-10-7-8-14(2)15(17)3/h5-6,9,11-12,14-15,17H,4,7-8,10,13H2,1-3H3,(H,22,24)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide has a molecular weight of 356.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 129419658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).