(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide

C17H25NO3 — CID 95880421

IUPAC(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C17H25NO3/c1-12-7-6-8-14(11-12)21-13(2)17(20)18(3)15-9-4-5-10-16(15)19/h6-8,11,13,15-16,19H,4-5,9-10H2,1-3H3/t13-,15-,16+/m1/s1
InChIKeyFTCHBVUEJSRIPZ-BMFZPTHFSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds4

About (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide

(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide (PubChem CID 95880421) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
PubChem CID95880421
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C17H25NO3/c1-12-7-6-8-14(11-12)21-13(2)17(20)18(3)15-9-4-5-10-16(15)19/h6-8,11,13,15-16,19H,4-5,9-10H2,1-3H3/t13-,15-,16+/m1/s1
InChIKeyFTCHBVUEJSRIPZ-BMFZPTHFSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
CID 6468849
4-[(3-Methylphenoxy)acetyl]morpholine
CID 4478117
N-Hydroxy-N-phenethyl-2-phenoxy-acetamide
CID 14406209
N-cyclopentyl-2-(3-methylphenoxy)acetamide
CID 814253
1-[4-(Azepan-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 660546
2-(3-Methylphenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910597
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(3-methylphenoxy)propanamide
CID 72075621
N-benzyl-N-isopropyl-2-phenoxyacetamide
CID 669853
N-cyclohexyl-N-ethyl-2-phenoxyacetamide
CID 670248
N-benzyl-N-ethyl-2-phenoxyacetamide
CID 3140501
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-2-m-tolyloxy-acetamide
CID 3153391

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide (CID 95880421) is (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide?
The InChIKey is FTCHBVUEJSRIPZ-BMFZPTHFSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-7-6-8-14(11-12)21-13(2)17(20)18(3)15-9-4-5-10-16(15)19/h6-8,11,13,15-16,19H,4-5,9-10H2,1-3H3/t13-,15-,16+/m1/s1.
What are the key properties of (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide?
(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 95880421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).