[1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate

C24H23NO4 — CID 6710109

IUPAC[1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate
SMILESO=C(OC(COCc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(25-16-19-10-4-1-5-11-19)22(18-28-17-20-12-6-2-7-13-20)29-24(27)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)
InChIKeyRXSMFAURHKJINW-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.75
Rot. Bonds9

About [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate

[1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate (PubChem CID 6710109) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate
PubChem CID6710109
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate
SMILESO=C(OC(COCc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(25-16-19-10-4-1-5-11-19)22(18-28-17-20-12-6-2-7-13-20)29-24(27)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)
InChIKeyRXSMFAURHKJINW-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate?
The IUPAC name of [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate (CID 6710109) is [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate.
What is the SMILES notation for [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate?
The canonical SMILES for [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate is O=C(OC(COCc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate?
The InChIKey is RXSMFAURHKJINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(25-16-19-10-4-1-5-11-19)22(18-28-17-20-12-6-2-7-13-20)29-24(27)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26).
What are the key properties of [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate?
[1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate has a molecular weight of 389.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-1-oxo-3-phenylmethoxypropan-2-yl] benzoate is sourced from PubChem (CID 6710109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).