(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C16H23F3N2O2 — CID 99798085

IUPAC(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESC[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-11(4-5-13-6-8-14(22)9-7-13)20-15(23)12(2)21(3)10-16(17,18)19/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,20,23)/t11-,12-/m0/s1
InChIKeyGEERRDUNOJAMJI-RYUDHWBXSA-N
MW332.37 g/mol
LogP2.71
Rot. Bonds7

About (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 99798085) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID99798085
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESC[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-11(4-5-13-6-8-14(22)9-7-13)20-15(23)12(2)21(3)10-16(17,18)19/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,20,23)/t11-,12-/m0/s1
InChIKeyGEERRDUNOJAMJI-RYUDHWBXSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]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-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433824
methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
CID 43726104
(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
CID 97019721
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 99798085) is (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](C)N(C)CC(F)(F)F.
What is the InChIKey of (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is GEERRDUNOJAMJI-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(4-5-13-6-8-14(22)9-7-13)20-15(23)12(2)21(3)10-16(17,18)19/h6-9,11-12,22H,4-5,10H2,1-3H3,(H,20,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 332.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 99798085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).