3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide

C13H20N2O2 — CID 106916334

IUPAC3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(CO)cc1C
InChIInChI=1S/C13H20N2O2/c1-10-8-11(9-16)4-5-12(10)15(3)7-6-13(17)14-2/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyPUMFNCYGLJXEKD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.06
Rot. Bonds5

About 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide

3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide (PubChem CID 106916334) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
PubChem CID106916334
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccc(CO)cc1C
InChIInChI=1S/C13H20N2O2/c1-10-8-11(9-16)4-5-12(10)15(3)7-6-13(17)14-2/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17)
InChIKeyPUMFNCYGLJXEKD-UHFFFAOYSA-N
XLogP1.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
CID 81058166
N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
CID 62122234
3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
CID 106916351
3-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N-methylpropanamide
CID 106916716
[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 62121374
1-[4-(hydroxymethyl)-N,2-dimethylanilino]-2-methylpropan-2-ol
CID 79387346
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-3-(trifluoromethyl)benzoic acid
CID 106916147
3-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-methylpropanamide
CID 106916319
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide?
The IUPAC name of 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide (CID 106916334) is 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccc(CO)cc1C.
What is the InChIKey of 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide?
The InChIKey is PUMFNCYGLJXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-11(9-16)4-5-12(10)15(3)7-6-13(17)14-2/h4-5,8,16H,6-7,9H2,1-3H3,(H,14,17).
What are the key properties of 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide?
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide is sourced from PubChem (CID 106916334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).