(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide

C18H29NO2 — CID 102092739

IUPAC(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)[C@@H](C)[C@@H](C)[C@@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C18H29NO2/c1-12(2)19(13(3)4)18(21)15(6)14(5)17(20)16-10-8-7-9-11-16/h7-15,17,20H,1-6H3/t14-,15+,17-/m1/s1
InChIKeyWGDKQGOOKAVBGN-HLLBOEOZSA-N
MW291.43 g/mol
LogP3.64
Rot. Bonds6

About (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide

(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide (PubChem CID 102092739) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide.

Molecular Properties

Compound Name(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
PubChem CID102092739
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
SMILESCC(C)N(C(=O)[C@@H](C)[C@@H](C)[C@@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C18H29NO2/c1-12(2)19(13(3)4)18(21)15(6)14(5)17(20)16-10-8-7-9-11-16/h7-15,17,20H,1-6H3/t14-,15+,17-/m1/s1
InChIKeyWGDKQGOOKAVBGN-HLLBOEOZSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide 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,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
CID 15248153
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 22398871
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
CID 102439539
ethyl (2R,3R,4R,5S)-3,5-dihydroxy-2,4-dimethyl-5-phenylpentanoate
CID 101157464
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
(3S,4R,5R)-3-(dimethylamino)-4,6-dihydroxy-5-methyl-6-phenylhexan-2-one
CID 71016776
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide?
The IUPAC name of (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide (CID 102092739) is (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide.
What is the SMILES notation for (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide?
The canonical SMILES for (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide is CC(C)N(C(=O)[C@@H](C)[C@@H](C)[C@@H](O)c1ccccc1)C(C)C.
What is the InChIKey of (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide?
The InChIKey is WGDKQGOOKAVBGN-HLLBOEOZSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)19(13(3)4)18(21)15(6)14(5)17(20)16-10-8-7-9-11-16/h7-15,17,20H,1-6H3/t14-,15+,17-/m1/s1.
What are the key properties of (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide?
(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide has a molecular weight of 291.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide is sourced from PubChem (CID 102092739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).