phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate

C28H24N2O3 — CID 126004333

IUPACphenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C28H24N2O3/c31-27(29-24-18-16-23(17-19-24)22-12-6-2-7-13-22)26(20-21-10-4-1-5-11-21)30-28(32)33-25-14-8-3-9-15-25/h1-19,26H,20H2,(H,29,31)(H,30,32)/t26-/m0/s1
InChIKeyGZLFQAHDJJFIJY-SANMLTNESA-N
MW436.51 g/mol
LogP5.69
Rot. Bonds7

About phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate

phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate (PubChem CID 126004333) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
PubChem CID126004333
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Namephenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C28H24N2O3/c31-27(29-24-18-16-23(17-19-24)22-12-6-2-7-13-22)26(20-21-10-4-1-5-11-21)30-28(32)33-25-14-8-3-9-15-25/h1-19,26H,20H2,(H,29,31)(H,30,32)/t26-/m0/s1
InChIKeyGZLFQAHDJJFIJY-SANMLTNESA-N
XLogP5.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 126010648
tert-butyl N-[(2S)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
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tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate
CID 52877966
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951
4-[[2-benzamido-3-(4-phenylphenyl)propanoyl]amino]-N-hydroxybenzamide
CID 73041441
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
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N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
2-(phenoxycarbonylamino)ethyl 2-(phenoxycarbonylamino)-3-phenylpropanoate
CID 146513968
benzyl N-[1-(4-iodoanilino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 3098841
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate (CID 126004333) is phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate?
The InChIKey is GZLFQAHDJJFIJY-SANMLTNESA-N. The full InChI is InChI=1S/C28H24N2O3/c31-27(29-24-18-16-23(17-19-24)22-12-6-2-7-13-22)26(20-21-10-4-1-5-11-21)30-28(32)33-25-14-8-3-9-15-25/h1-19,26H,20H2,(H,29,31)(H,30,32)/t26-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate?
phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate is sourced from PubChem (CID 126004333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).