(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide

C16H17NO4 — CID 11087415

IUPAC(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c1-21-13-9-7-12(8-10-13)17-16(20)15(19)14(18)11-5-3-2-4-6-11/h2-10,14-15,18-19H,1H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyOCXSGMRMKVWTNO-LSDHHAIUSA-N
MW287.32 g/mol
LogP1.73
Rot. Bonds5

About (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide

(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 11087415) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID11087415
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](O)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c1-21-13-9-7-12(8-10-13)17-16(20)15(19)14(18)11-5-3-2-4-6-11/h2-10,14-15,18-19H,1H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyOCXSGMRMKVWTNO-LSDHHAIUSA-N
XLogP1.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
CID 11729459
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
2-hydroxy-2-phenyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 110896061
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
N-(4-methoxyphenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373398

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide (CID 11087415) is (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)[C@H](O)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is OCXSGMRMKVWTNO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-13-9-7-12(8-10-13)17-16(20)15(19)14(18)11-5-3-2-4-6-11/h2-10,14-15,18-19H,1H3,(H,17,20)/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide?
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 287.32 g/mol, XLogP of 1.73, 5 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-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 11087415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).