benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

C23H22N2O4 — CID 91699856

IUPACbenzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc(O)c1)OCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-20-13-7-12-19(15-20)24-22(27)21(14-17-8-3-1-4-9-17)25-23(28)29-16-18-10-5-2-6-11-18/h1-13,15,21,26H,14,16H2,(H,24,27)(H,25,28)
InChIKeyWGKLKRFVGYLTBU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.87
Rot. Bonds7

About benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 91699856) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID91699856
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namebenzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc(O)c1)OCc1ccccc1
InChIInChI=1S/C23H22N2O4/c26-20-13-7-12-19(15-20)24-22(27)21(14-17-8-3-1-4-9-17)25-23(28)29-16-18-10-5-2-6-11-18/h1-13,15,21,26H,14,16H2,(H,24,27)(H,25,28)
InChIKeyWGKLKRFVGYLTBU-UHFFFAOYSA-N
XLogP3.87
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-(3-acetylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 7613158
2-methylpropyl 3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate
CID 91699939
benzyl N-[1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 43007898
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
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CID 14770714
benzyl N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethoxy)anilino]propan-2-yl]carbamate
CID 55653455
(3S)-4-anilino-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 10854772
benzyl N-[1-[(4-hydroxy-3-oxo-1-phenylbutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 3364674
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(2S)-1-anilino-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 126615842
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 91699856) is benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(=O)Nc1cccc(O)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is WGKLKRFVGYLTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-20-13-7-12-19(15-20)24-22(27)21(14-17-8-3-1-4-9-17)25-23(28)29-16-18-10-5-2-6-11-18/h1-13,15,21,26H,14,16H2,(H,24,27)(H,25,28).
What are the key properties of benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 91699856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).