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

C18H28N2O3 — CID 119475522

IUPACN-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NC2CCC(N)CC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)20-14-8-6-13(19)7-9-14/h5,10-11,13-14H,6-9,19H2,1-4H3,(H,20,21)
InChIKeyAHANSCTZAMAAQF-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.37
Rot. Bonds5

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

N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 119475522) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
PubChem CID119475522
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)NC2CCC(N)CC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)20-14-8-6-13(19)7-9-14/h5,10-11,13-14H,6-9,19H2,1-4H3,(H,20,21)
InChIKeyAHANSCTZAMAAQF-UHFFFAOYSA-N
XLogP2.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110437761
N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
CID 80556915
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119589762
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119777599
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (CID 119475522) is N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)NC2CCC(N)CC2)cc1OC.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is AHANSCTZAMAAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,12-5-10-15(22-3)16(11-12)23-4)17(21)20-14-8-6-13(19)7-9-14/h5,10-11,13-14H,6-9,19H2,1-4H3,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 320.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 119475522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).