N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide

C34H31N2OP — CID 51041221

IUPACN-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide
SMILESO=C(N[C@H](CNc1ccccc1)Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31N2OP/c37-34(36-29(25-27-15-5-1-6-16-27)26-35-28-17-7-2-8-18-28)32-23-13-14-24-33(32)38(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-24,29,35H,25-26H2,(H,36,37)/t29-/m0/s1
InChIKeyKHBBIESNWAREBT-LJAQVGFWSA-N
MW514.61 g/mol
LogP5.90
Rot. Bonds10

About N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide

N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide (PubChem CID 51041221) has the molecular formula C34H31N2OP and a molecular weight of 514.61 g/mol. Its IUPAC name is N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide
PubChem CID51041221
Molecular FormulaC34H31N2OP
Molecular Weight514.61 g/mol
Exact Mass514.22
IUPAC NameN-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide
SMILESO=C(N[C@H](CNc1ccccc1)Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H31N2OP/c37-34(36-29(25-27-15-5-1-6-16-27)26-35-28-17-7-2-8-18-28)32-23-13-14-24-33(32)38(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-24,29,35H,25-26H2,(H,36,37)/t29-/m0/s1
InChIKeyKHBBIESNWAREBT-LJAQVGFWSA-N
XLogP5.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.61
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
1-(2-diphenylphosphanylphenyl)-2-phenylethanone
CID 59804946
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2-nitro-N-(1-phenylbutan-2-yl)benzamide
CID 2972781
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
2-diphenylphosphanyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-[(2-diphenylphosphanylbenzoyl)amino]-3-methylbutyl]amino]cyclohexyl]amino]-3-methylbutan-2-yl]benzamide
CID 11593126
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
CID 70473357

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide?
The IUPAC name of N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide (CID 51041221) is N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide.
What is the SMILES notation for N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide?
The canonical SMILES for N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide is O=C(N[C@H](CNc1ccccc1)Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide?
The InChIKey is KHBBIESNWAREBT-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H31N2OP/c37-34(36-29(25-27-15-5-1-6-16-27)26-35-28-17-7-2-8-18-28)32-23-13-14-24-33(32)38(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-24,29,35H,25-26H2,(H,36,37)/t29-/m0/s1.
What are the key properties of N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide?
N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide has a molecular weight of 514.61 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-anilino-3-phenylpropan-2-yl]-2-diphenylphosphanylbenzamide is sourced from PubChem (CID 51041221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).