(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide

C20H29NO4 — CID 11929269

IUPAC(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C20H29NO4/c1-12-7-6-8-17(13(12)2)21-20(23)15(4)25-18-10-9-16(14(3)22)11-19(18)24-5/h9-13,15,17H,6-8H2,1-5H3,(H,21,23)/t12-,13+,15+,17+/m0/s1
InChIKeyHYLZYKBGZIYBRQ-TZDHZFECSA-N
MW347.46 g/mol
LogP3.61
Rot. Bonds6

About (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 11929269) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
PubChem CID11929269
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
SMILESCOc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C20H29NO4/c1-12-7-6-8-17(13(12)2)21-20(23)15(4)25-18-10-9-16(14(3)22)11-19(18)24-5/h9-13,15,17H,6-8H2,1-5H3,(H,21,23)/t12-,13+,15+,17+/m0/s1
InChIKeyHYLZYKBGZIYBRQ-TZDHZFECSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 11920818
[(2S)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 11916939
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526127
4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
CID 11919951
2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 51926733
methyl 4-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 11923909
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 11926184
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-propanoylphenoxy)propanamide
CID 11929131
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 11925701
(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-propanoylphenoxy)propanamide
CID 11929132
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11935435
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 11908881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide (CID 11929269) is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide is COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C.
What is the InChIKey of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is HYLZYKBGZIYBRQ-TZDHZFECSA-N. The full InChI is InChI=1S/C20H29NO4/c1-12-7-6-8-17(13(12)2)21-20(23)15(4)25-18-10-9-16(14(3)22)11-19(18)24-5/h9-13,15,17H,6-8H2,1-5H3,(H,21,23)/t12-,13+,15+,17+/m0/s1.
What are the key properties of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 11929269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).