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

C19H27NO3 — CID 100664449

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H27NO3/c1-20(17-8-4-5-9-18(17)21)19(22)13-23-16-11-10-14-6-2-3-7-15(14)12-16/h10-12,17-18,21H,2-9,13H2,1H3/t17-,18-/m1/s1
InChIKeyOMDIENNWZXDYNT-QZTJIDSGSA-N
MW317.43 g/mol
LogP2.71
Rot. Bonds4

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

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 100664449) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
PubChem CID100664449
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H27NO3/c1-20(17-8-4-5-9-18(17)21)19(22)13-23-16-11-10-14-6-2-3-7-15(14)12-16/h10-12,17-18,21H,2-9,13H2,1H3/t17-,18-/m1/s1
InChIKeyOMDIENNWZXDYNT-QZTJIDSGSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 110165070
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
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
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634743
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
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
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 100664449) is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is CN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The InChIKey is OMDIENNWZXDYNT-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27NO3/c1-20(17-8-4-5-9-18(17)21)19(22)13-23-16-11-10-14-6-2-3-7-15(14)12-16/h10-12,17-18,21H,2-9,13H2,1H3/t17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 100664449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).