(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide

C18H22N2O3 — CID 142702802

IUPAC(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
SMILESCOc1ccc(CNC(=O)[C@H](O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-23-15-9-7-14(8-10-15)12-20-18(22)17(21)16(19)11-13-5-3-2-4-6-13/h2-10,16-17,21H,11-12,19H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyGQPKTPOBXCFKJX-DLBZAZTESA-N
MW314.39 g/mol
LogP1.24
Rot. Bonds7

About (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide

(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide (PubChem CID 142702802) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
PubChem CID142702802
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
SMILESCOc1ccc(CNC(=O)[C@H](O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-23-15-9-7-14(8-10-15)12-20-18(22)17(21)16(19)11-13-5-3-2-4-6-13/h2-10,16-17,21H,11-12,19H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyGQPKTPOBXCFKJX-DLBZAZTESA-N
XLogP1.24
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
methyl (2S,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoate
CID 10041390
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
CID 131737762
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
The IUPAC name of (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide (CID 142702802) is (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide is COc1ccc(CNC(=O)[C@H](O)[C@@H](N)Cc2ccccc2)cc1.
What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
The InChIKey is GQPKTPOBXCFKJX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-15-9-7-14(8-10-15)12-20-18(22)17(21)16(19)11-13-5-3-2-4-6-13/h2-10,16-17,21H,11-12,19H2,1H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide has a molecular weight of 314.39 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 142702802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).