phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate

C32H31N3O4 — CID 16731186

IUPACphenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)C1NC(c2ccccc2)N(Cc2ccccc2)C1=O)Oc1ccccc1
InChIInChI=1S/C32H31N3O4/c36-29(27(21-23-13-5-1-6-14-23)33-32(38)39-26-19-11-4-12-20-26)28-31(37)35(22-24-15-7-2-8-16-24)30(34-28)25-17-9-3-10-18-25/h1-20,27-30,34,36H,21-22H2,(H,33,38)/t27-,28?,29+,30?/m0/s1
InChIKeyGMZDGEMSGVLFPU-ZQTFWZTISA-N
MW521.62 g/mol
LogP4.45
Rot. Bonds9

About phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate

phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate (PubChem CID 16731186) has the molecular formula C32H31N3O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
PubChem CID16731186
Molecular FormulaC32H31N3O4
Molecular Weight521.62 g/mol
Exact Mass521.23
IUPAC Namephenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)C1NC(c2ccccc2)N(Cc2ccccc2)C1=O)Oc1ccccc1
InChIInChI=1S/C32H31N3O4/c36-29(27(21-23-13-5-1-6-14-23)33-32(38)39-26-19-11-4-12-20-26)28-31(37)35(22-24-15-7-2-8-16-24)30(34-28)25-17-9-3-10-18-25/h1-20,27-30,34,36H,21-22H2,(H,33,38)/t27-,28?,29+,30?/m0/s1
InChIKeyGMZDGEMSGVLFPU-ZQTFWZTISA-N
XLogP4.45
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2S)-1-[(4S)-1-benzyl-5-oxo-2-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]-phenylcarbamic acid
CID 67333786
N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylacetamide
CID 73314226
N-[1-(1-benzyl-2,2-dimethyl-5-oxoimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 73314206
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
[(1R,2S)-1-[(4S)-1-benzyl-2,2-dibutyl-5-oxoimidazolidin-4-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamic acid
CID 68981933
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
methyl N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 54537768
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 91156636
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661
ethyl N-(4,4-dichloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 57086761
benzyl N-[(1R)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 10576904
benzyl N-[(1S)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 100979222

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate (CID 16731186) is phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C1NC(c2ccccc2)N(Cc2ccccc2)C1=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The InChIKey is GMZDGEMSGVLFPU-ZQTFWZTISA-N. The full InChI is InChI=1S/C32H31N3O4/c36-29(27(21-23-13-5-1-6-14-23)33-32(38)39-26-19-11-4-12-20-26)28-31(37)35(22-24-15-7-2-8-16-24)30(34-28)25-17-9-3-10-18-25/h1-20,27-30,34,36H,21-22H2,(H,33,38)/t27-,28?,29+,30?/m0/s1.
What are the key properties of phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate has a molecular weight of 521.62 g/mol, XLogP of 4.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1R,2S)-1-(1-benzyl-5-oxo-2-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 16731186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).