2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide

C18H27NO4 — CID 110437761

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NC2CCC(O)CC2)cc1OC
InChIInChI=1S/C18H27NO4/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)19-13-6-8-14(20)9-7-13/h5,10-11,13-14,20H,6-9H2,1-4H3,(H,19,21)
InChIKeyGTZBZRYWTBOBHP-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.40
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide

2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide (PubChem CID 110437761) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
PubChem CID110437761
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NC2CCC(O)CC2)cc1OC
InChIInChI=1S/C18H27NO4/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)19-13-6-8-14(20)9-7-13/h5,10-11,13-14,20H,6-9H2,1-4H3,(H,19,21)
InChIKeyGTZBZRYWTBOBHP-UHFFFAOYSA-N
XLogP2.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119475522
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120943522
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119589762
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide (CID 110437761) is 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)NC2CCC(O)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The InChIKey is GTZBZRYWTBOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)19-13-6-8-14(20)9-7-13/h5,10-11,13-14,20H,6-9H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide is sourced from PubChem (CID 110437761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).