(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide

C33H34N2O3 — CID 136729180

IUPAC(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](/N=C/c1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34N2O3/c1-24(2)31(34-23-26-16-12-13-21-29(26)36)32(37)35-30(22-25-14-6-3-7-15-25)33(38,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,23-24,30-31,36,38H,22H2,1-2H3,(H,35,37)/b34-23+/t30-,31-/m0/s1
InChIKeyYCYRWIGBGYWHTR-LSNMPZHQSA-N
MW506.65 g/mol
LogP5.50
Rot. Bonds10

About (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide

(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide (PubChem CID 136729180) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
PubChem CID136729180
Molecular FormulaC33H34N2O3
Molecular Weight506.65 g/mol
Exact Mass506.26
IUPAC Name(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](/N=C/c1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34N2O3/c1-24(2)31(34-23-26-16-12-13-21-29(26)36)32(37)35-30(22-25-14-6-3-7-15-25)33(38,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,23-24,30-31,36,38H,22H2,1-2H3,(H,35,37)/b34-23+/t30-,31-/m0/s1
InChIKeyYCYRWIGBGYWHTR-LSNMPZHQSA-N
XLogP5.50
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-(trifluoromethyl)anilino]propan-2-yl]butanamide
CID 135914594
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
N,N'-bis[(2R)-1-hydroxy-1,1-bis(4-methylphenyl)-3-phenylpropan-2-yl]propanediamide
CID 69009193
1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923555
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
CID 122228094
2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
CID 135891732
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]-2-methylpropanamide;3-methylbutan-2-one
CID 158654008

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide (CID 136729180) is (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide is CC(C)[C@H](/N=C/c1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide?
The InChIKey is YCYRWIGBGYWHTR-LSNMPZHQSA-N. The full InChI is InChI=1S/C33H34N2O3/c1-24(2)31(34-23-26-16-12-13-21-29(26)36)32(37)35-30(22-25-14-6-3-7-15-25)33(38,27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-21,23-24,30-31,36,38H,22H2,1-2H3,(H,35,37)/b34-23+/t30-,31-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide?
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide has a molecular weight of 506.65 g/mol, XLogP of 5.50, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 136729180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).