N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

C19H27NO4 — CID 110165070

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H27NO4/c1-20(16-7-4-8-17(21)19(16)23)18(22)12-24-15-10-9-13-5-2-3-6-14(13)11-15/h9-11,16-17,19,21,23H,2-8,12H2,1H3/t16-,17-,19-/m1/s1
InChIKeyWEIJEYACNJCEOA-ZHALLVOQSA-N
MW333.43 g/mol
LogP1.68
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 110165070) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
PubChem CID110165070
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H27NO4/c1-20(16-7-4-8-17(21)19(16)23)18(22)12-24-15-10-9-13-5-2-3-6-14(13)11-15/h9-11,16-17,19,21,23H,2-8,12H2,1H3/t16-,17-,19-/m1/s1
InChIKeyWEIJEYACNJCEOA-ZHALLVOQSA-N
XLogP1.68
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100664449
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 110165052
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 84602202
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 155996372

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 110165070) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is CN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The InChIKey is WEIJEYACNJCEOA-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H27NO4/c1-20(16-7-4-8-17(21)19(16)23)18(22)12-24-15-10-9-13-5-2-3-6-14(13)11-15/h9-11,16-17,19,21,23H,2-8,12H2,1H3/t16-,17-,19-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 110165070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).