3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

C17H28N2O2 — CID 79377688

IUPAC3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-19(13-17(2,3)21)16(20)12-9-14-7-10-15(11-8-14)18(4)5/h7-8,10-11,21H,6,9,12-13H2,1-5H3
InChIKeyWSVYYDMFMFTCFI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.30
Rot. Bonds7

About 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 79377688) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID79377688
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-19(13-17(2,3)21)16(20)12-9-14-7-10-15(11-8-14)18(4)5/h7-8,10-11,21H,6,9,12-13H2,1-5H3
InChIKeyWSVYYDMFMFTCFI-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79385637
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 24555346
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596500
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 79377688) is 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is WSVYYDMFMFTCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-19(13-17(2,3)21)16(20)12-9-14-7-10-15(11-8-14)18(4)5/h7-8,10-11,21H,6,9,12-13H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 79377688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).