N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide

C13H19NO2 — CID 93090529

IUPACN-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
SMILESC[C@H](O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(15)10-6-5-7-11(8-10)14-12(16)13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m0/s1
InChIKeyCJPFISJYOXOCSY-VIFPVBQESA-N
MW221.30 g/mol
LogP2.72
Rot. Bonds2

About N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide

N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 93090529) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID93090529
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
SMILESC[C@H](O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(15)10-6-5-7-11(8-10)14-12(16)13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m0/s1
InChIKeyCJPFISJYOXOCSY-VIFPVBQESA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide 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

1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
2,2-dimethyl-3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 82821169
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
CID 106098277
[3-(1-hydroxyethyl)phenyl]thiourea
CID 87682391
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
2-methyl-2-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 13309478
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide (CID 93090529) is N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide is C[C@H](O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is CJPFISJYOXOCSY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(15)10-6-5-7-11(8-10)14-12(16)13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 93090529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).