(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide

C18H21NO3 — CID 11087866

IUPAC(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-19(13-14-8-4-2-5-9-14)17(21)12-16(20)18(22)15-10-6-3-7-11-15/h2-11,16,18,20,22H,12-13H2,1H3/t16-,18-/m1/s1
InChIKeyYXHMWPLZXFFMSQ-SJLPKXTDSA-N
MW299.37 g/mol
LogP2.13
Rot. Bonds6

About (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide

(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide (PubChem CID 11087866) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
PubChem CID11087866
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
SMILESCN(Cc1ccccc1)C(=O)C[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-19(13-14-8-4-2-5-9-14)17(21)12-16(20)18(22)15-10-6-3-7-11-15/h2-11,16,18,20,22H,12-13H2,1H3/t16-,18-/m1/s1
InChIKeyYXHMWPLZXFFMSQ-SJLPKXTDSA-N
XLogP2.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide
CID 10998524
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
CID 163377697
N-benzyl-N-methylpentanamide
CID 4629611
3-[4-[[methyl(3-phenylpropanoyl)amino]methyl]phenyl]-2-phenylpropanoic acid
CID 23176557
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide?
The IUPAC name of (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide (CID 11087866) is (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide?
The canonical SMILES for (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide is CN(Cc1ccccc1)C(=O)C[C@@H](O)[C@H](O)c1ccccc1.
What is the InChIKey of (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide?
The InChIKey is YXHMWPLZXFFMSQ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(13-14-8-4-2-5-9-14)17(21)12-16(20)18(22)15-10-6-3-7-11-15/h2-11,16,18,20,22H,12-13H2,1H3/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide?
(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide has a molecular weight of 299.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 11087866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).