(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide

C24H33NO2 — CID 102384841

IUPAC(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
SMILESC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO2/c1-17(21(24(3,4)5)19-13-9-7-10-14-19)23(27)25(6)18(2)22(26)20-15-11-8-12-16-20/h7-18,21-22,26H,1-6H3/t17-,18-,21+,22+/m0/s1
InChIKeyHQWJFBITQKFROO-MOXQZVSFSA-N
MW367.53 g/mol
LogP5.03
Rot. Bonds6

About (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide

(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide (PubChem CID 102384841) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide.

Molecular Properties

Compound Name(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
PubChem CID102384841
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
SMILESC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO2/c1-17(21(24(3,4)5)19-13-9-7-10-14-19)23(27)25(6)18(2)22(26)20-15-11-8-12-16-20/h7-18,21-22,26H,1-6H3/t17-,18-,21+,22+/m0/s1
InChIKeyHQWJFBITQKFROO-MOXQZVSFSA-N
XLogP5.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide 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

(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
(2R,3R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-(4-methoxyanilino)-N,2-dimethylpentanamide
CID 10949017

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide?
The IUPAC name of (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide (CID 102384841) is (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide.
What is the SMILES notation for (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide?
The canonical SMILES for (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide is C[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)[C@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide?
The InChIKey is HQWJFBITQKFROO-MOXQZVSFSA-N. The full InChI is InChI=1S/C24H33NO2/c1-17(21(24(3,4)5)19-13-9-7-10-14-19)23(27)25(6)18(2)22(26)20-15-11-8-12-16-20/h7-18,21-22,26H,1-6H3/t17-,18-,21+,22+/m0/s1.
What are the key properties of (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide?
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide has a molecular weight of 367.53 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide is sourced from PubChem (CID 102384841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).