(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

C21H27NO5 — CID 11349310

IUPAC(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCOc1cc(OC)cc([C@H](O)CC(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C21H27NO5/c1-14(21(25)15-8-6-5-7-9-15)22(2)20(24)13-19(23)16-10-17(26-3)12-18(11-16)27-4/h5-12,14,19,21,23,25H,13H2,1-4H3/t14-,19+,21+/m0/s1
InChIKeyUPOXNFBKBDLYSJ-UQIDSAAFSA-N
MW373.45 g/mol
LogP2.71
Rot. Bonds8

About (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (PubChem CID 11349310) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
PubChem CID11349310
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCOc1cc(OC)cc([C@H](O)CC(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C21H27NO5/c1-14(21(25)15-8-6-5-7-9-15)22(2)20(24)13-19(23)16-10-17(26-3)12-18(11-16)27-4/h5-12,14,19,21,23,25H,13H2,1-4H3/t14-,19+,21+/m0/s1
InChIKeyUPOXNFBKBDLYSJ-UQIDSAAFSA-N
XLogP2.71
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11370953
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(2-nitrophenyl)propanamide
CID 11199140
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
2-(3,4-dimethoxy-5-methylphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 122595148
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949
(2S)-2-(3,4-dimethoxyphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 11793595
tert-butyl N-[(2R,3S)-3-hydroxy-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-1-phenylpentan-2-yl]-N-methylcarbamate
CID 51031967
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The IUPAC name of (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (CID 11349310) is (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The canonical SMILES for (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is COc1cc(OC)cc([C@H](O)CC(=O)N(C)[C@@H](C)[C@@H](O)c2ccccc2)c1.
What is the InChIKey of (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The InChIKey is UPOXNFBKBDLYSJ-UQIDSAAFSA-N. The full InChI is InChI=1S/C21H27NO5/c1-14(21(25)15-8-6-5-7-9-15)22(2)20(24)13-19(23)16-10-17(26-3)12-18(11-16)27-4/h5-12,14,19,21,23,25H,13H2,1-4H3/t14-,19+,21+/m0/s1.
What are the key properties of (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
(3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide has a molecular weight of 373.45 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethoxyphenyl)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 11349310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).