N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide

C16H23NO4 — CID 155983827

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C16H23NO4/c1-17(13-4-3-5-14(18)16(13)20)15(19)10-11-6-8-12(21-2)9-7-11/h6-9,13-14,16,18,20H,3-5,10H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyAYYLMDANCOMRNQ-IIAWOOMASA-N
MW293.36 g/mol
LogP0.97
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 155983827) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
PubChem CID155983827
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C16H23NO4/c1-17(13-4-3-5-14(18)16(13)20)15(19)10-11-6-8-12(21-2)9-7-11/h6-9,13-14,16,18,20H,3-5,10H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyAYYLMDANCOMRNQ-IIAWOOMASA-N
XLogP0.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 54611509
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66238179
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 110165070
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide
CID 110125869
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 110165047
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide (CID 155983827) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is AYYLMDANCOMRNQ-IIAWOOMASA-N. The full InChI is InChI=1S/C16H23NO4/c1-17(13-4-3-5-14(18)16(13)20)15(19)10-11-6-8-12(21-2)9-7-11/h6-9,13-14,16,18,20H,3-5,10H2,1-2H3/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 293.36 g/mol, XLogP of 0.97, 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]-2-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 155983827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).