3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide

C12H18N2O2 — CID 20684753

IUPAC3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
SMILESCC(Cc1ccc(N(C)C)cc1)C(=O)NO
InChIInChI=1S/C12H18N2O2/c1-9(12(15)13-16)8-10-4-6-11(7-5-10)14(2)3/h4-7,9,16H,8H2,1-3H3,(H,13,15)
InChIKeyMMKAZBWDUZOYHV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.44
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide

3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide (PubChem CID 20684753) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
PubChem CID20684753
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
SMILESCC(Cc1ccc(N(C)C)cc1)C(=O)NO
InChIInChI=1S/C12H18N2O2/c1-9(12(15)13-16)8-10-4-6-11(7-5-10)14(2)3/h4-7,9,16H,8H2,1-3H3,(H,13,15)
InChIKeyMMKAZBWDUZOYHV-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethylhepta-2,4-dienamide
CID 85049354
4-(dimethylamino)-N-[6-(hydroxyamino)-5-methyl-6-oxohexyl]benzamide
CID 87895135
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide
CID 66751193
2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
CID 62082409
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide (CID 20684753) is 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide is CC(Cc1ccc(N(C)C)cc1)C(=O)NO.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide?
The InChIKey is MMKAZBWDUZOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(12(15)13-16)8-10-4-6-11(7-5-10)14(2)3/h4-7,9,16H,8H2,1-3H3,(H,13,15).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide?
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 20684753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).