(2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide

C32H33N2O2P — CID 134991202

IUPAC(2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide
SMILESCC[C@@H](C)[C@H](N=Cc1ccccc1P(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C32H33N2O2P/c1-4-24(2)31(32(35)34-26-19-21-27(36-3)22-20-26)33-23-25-13-11-12-18-30(25)37(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-24,31H,4H2,1-3H3,(H,34,35)/t24-,31+/m1/s1
InChIKeyGERKJHSOZARUKE-XJFCNFDWSA-N
MW508.60 g/mol
LogP5.93
Rot. Bonds10

About (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide

(2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide (PubChem CID 134991202) has the molecular formula C32H33N2O2P and a molecular weight of 508.60 g/mol. Its IUPAC name is (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide
PubChem CID134991202
Molecular FormulaC32H33N2O2P
Molecular Weight508.60 g/mol
Exact Mass508.23
IUPAC Name(2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide
SMILESCC[C@@H](C)[C@H](N=Cc1ccccc1P(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C32H33N2O2P/c1-4-24(2)31(32(35)34-26-19-21-27(36-3)22-20-26)33-23-25-13-11-12-18-30(25)37(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-24,31H,4H2,1-3H3,(H,34,35)/t24-,31+/m1/s1
InChIKeyGERKJHSOZARUKE-XJFCNFDWSA-N
XLogP5.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
cesium (2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-3,3-dimethylbutanoate
CID 154726111
[(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
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4043475

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide (CID 134991202) is (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide is CC[C@@H](C)[C@H](N=Cc1ccccc1P(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide?
The InChIKey is GERKJHSOZARUKE-XJFCNFDWSA-N. The full InChI is InChI=1S/C32H33N2O2P/c1-4-24(2)31(32(35)34-26-19-21-27(36-3)22-20-26)33-23-25-13-11-12-18-30(25)37(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-24,31H,4H2,1-3H3,(H,34,35)/t24-,31+/m1/s1.
What are the key properties of (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide?
(2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide has a molecular weight of 508.60 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-N-(4-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 134991202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).