N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide

C20H25NO2 — CID 11917810

IUPACN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-14-7-5-11-18(15(14)2)21-20(22)13-23-19-12-6-9-16-8-3-4-10-17(16)19/h3-4,6,8-10,12,14-15,18H,5,7,11,13H2,1-2H3,(H,21,22)/t14-,15-,18+/m1/s1
InChIKeyJFIVXUZBAWNTKD-RKVPGOIHSA-N
MW311.42 g/mol
LogP4.16
Rot. Bonds4

About N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 11917810) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
PubChem CID11917810
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C20H25NO2/c1-14-7-5-11-18(15(14)2)21-20(22)13-23-19-12-6-9-16-8-3-4-10-17(16)19/h3-4,6,8-10,12,14-15,18H,5,7,11,13H2,1-2H3,(H,21,22)/t14-,15-,18+/m1/s1
InChIKeyJFIVXUZBAWNTKD-RKVPGOIHSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
2-naphthalen-1-yloxy-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]cyclohexyl]acetamide
CID 5176839
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
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-dimethylcyclohexyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 3559512
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7377024
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2434553
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 129419658
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide (CID 11917810) is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1cccc2ccccc12.
What is the InChIKey of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is JFIVXUZBAWNTKD-RKVPGOIHSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-7-5-11-18(15(14)2)21-20(22)13-23-19-12-6-9-16-8-3-4-10-17(16)19/h3-4,6,8-10,12,14-15,18H,5,7,11,13H2,1-2H3,(H,21,22)/t14-,15-,18+/m1/s1.
What are the key properties of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide?
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 311.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 11917810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).