(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate

C23H23NO4 — CID 11111618

IUPAC(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-17(22(25)18-9-5-3-6-10-18)24(2)23(26)28-21-15-13-20(14-16-21)27-19-11-7-4-8-12-19/h3-17,22,25H,1-2H3/t17-,22-/m1/s1
InChIKeyHPROJBPBOMAPND-VGOFRKELSA-N
MW377.44 g/mol
LogP5.03
Rot. Bonds6

About (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate

(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate (PubChem CID 11111618) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate
PubChem CID11111618
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO4/c1-17(22(25)18-9-5-3-6-10-18)24(2)23(26)28-21-15-13-20(14-16-21)27-19-11-7-4-8-12-19/h3-17,22,25H,1-2H3/t17-,22-/m1/s1
InChIKeyHPROJBPBOMAPND-VGOFRKELSA-N
XLogP5.03
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate?
The IUPAC name of (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate (CID 11111618) is (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate?
The canonical SMILES for (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate is C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate?
The InChIKey is HPROJBPBOMAPND-VGOFRKELSA-N. The full InChI is InChI=1S/C23H23NO4/c1-17(22(25)18-9-5-3-6-10-18)24(2)23(26)28-21-15-13-20(14-16-21)27-19-11-7-4-8-12-19/h3-17,22,25H,1-2H3/t17-,22-/m1/s1.
What are the key properties of (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate?
(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate has a molecular weight of 377.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 11111618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).