(3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide

C20H25NO2 — CID 124887699

IUPAC(3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide
SMILESC[C@H](NC(=O)C[C@H](O)Cc1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(18-11-7-4-8-12-18)16(2)21-20(23)14-19(22)13-17-9-5-3-6-10-17/h3-12,15-16,19,22H,13-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKeyHDYQADCDINORHP-JTDSTZFVSA-N
MW311.43 g/mol
LogP3.29
Rot. Bonds7

About (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide

(3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide (PubChem CID 124887699) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide
PubChem CID124887699
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide
SMILESC[C@H](NC(=O)C[C@H](O)Cc1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(18-11-7-4-8-12-18)16(2)21-20(23)14-19(22)13-17-9-5-3-6-10-17/h3-12,15-16,19,22H,13-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKeyHDYQADCDINORHP-JTDSTZFVSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
CID 119327513
3-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylbutanamide
CID 122146140
(2R)-2-methoxy-N-[(2S,3R)-3-phenylbutan-2-yl]propanamide
CID 96522716
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
(3S,4R)-3-(benzylcarbamoyl)-4-phenylpentanoic acid
CID 805106
2-(1-phenylethyl)butanedioic acid
CID 2837676
(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium
CID 59712847
N-(2-hydroxy-3-phenylpropyl)-3-methyl-2-phenylbutanamide
CID 111477366
N-(3-hydroxy-4-phenylbutan-2-yl)-2-(4-phenylphenyl)acetamide
CID 75386489
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-hydroxy-2-methyl-5-phenylpentanoic acid
CID 57472998
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide?
The IUPAC name of (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide (CID 124887699) is (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide?
The canonical SMILES for (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide is C[C@H](NC(=O)C[C@H](O)Cc1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide?
The InChIKey is HDYQADCDINORHP-JTDSTZFVSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(18-11-7-4-8-12-18)16(2)21-20(23)14-19(22)13-17-9-5-3-6-10-17/h3-12,15-16,19,22H,13-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide?
(3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-phenyl-N-[(2S,3S)-3-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 124887699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).