(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide

C18H21NO4 — CID 10757720

IUPAC(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC(O)c1ccccc1)C(=O)[C@H](O)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-19(12-15(20)13-8-4-2-5-9-13)18(23)17(22)16(21)14-10-6-3-7-11-14/h2-11,15-17,20-22H,12H2,1H3/t15?,16-,17+/m0/s1
InChIKeyUPZJEMVRCVRSNB-LRUHZDSUSA-N
MW315.37 g/mol
LogP1.27
Rot. Bonds6

About (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide

(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide (PubChem CID 10757720) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide
PubChem CID10757720
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC(O)c1ccccc1)C(=O)[C@H](O)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-19(12-15(20)13-8-4-2-5-9-13)18(23)17(22)16(21)14-10-6-3-7-11-14/h2-11,15-17,20-22H,12H2,1H3/t15?,16-,17+/m0/s1
InChIKeyUPZJEMVRCVRSNB-LRUHZDSUSA-N
XLogP1.27
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten
CID 59694940
(2S,3R,4S)-2,3,4-trihydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134855963
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid
CID 22902564
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide (CID 10757720) is (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide is CN(CC(O)c1ccccc1)C(=O)[C@H](O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide?
The InChIKey is UPZJEMVRCVRSNB-LRUHZDSUSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19(12-15(20)13-8-4-2-5-9-13)18(23)17(22)16(21)14-10-6-3-7-11-14/h2-11,15-17,20-22H,12H2,1H3/t15?,16-,17+/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide?
(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide has a molecular weight of 315.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 10757720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).