N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide

C18H28N2O2 — CID 109398054

IUPACN-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)N(C)CC2CCCC2O)c1
InChIInChI=1S/C18H28N2O2/c1-12-8-13(2)10-16(9-12)19-18(22)14(3)20(4)11-15-6-5-7-17(15)21/h8-10,14-15,17,21H,5-7,11H2,1-4H3,(H,19,22)
InChIKeyNJQMRVMBHYMFNR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.72
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide

N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide (PubChem CID 109398054) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
PubChem CID109398054
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)N(C)CC2CCCC2O)c1
InChIInChI=1S/C18H28N2O2/c1-12-8-13(2)10-16(9-12)19-18(22)14(3)20(4)11-15-6-5-7-17(15)21/h8-10,14-15,17,21H,5-7,11H2,1-4H3,(H,19,22)
InChIKeyNJQMRVMBHYMFNR-UHFFFAOYSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398109
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 109397933
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455
N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109397881
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013635
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62608844
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide (CID 109398054) is N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide is Cc1cc(C)cc(NC(=O)C(C)N(C)CC2CCCC2O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
The InChIKey is NJQMRVMBHYMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-8-13(2)10-16(9-12)19-18(22)14(3)20(4)11-15-6-5-7-17(15)21/h8-10,14-15,17,21H,5-7,11H2,1-4H3,(H,19,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide?
N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide is sourced from PubChem (CID 109398054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).