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

C17H17NO3 — CID 14023270

IUPACbenzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(16(19)15-10-6-3-7-11-15)18-17(20)21-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyIBQLNUCDRMSSBJ-ZDUSSCGKSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds5

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

benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate (PubChem CID 14023270) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate
PubChem CID14023270
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(16(19)15-10-6-3-7-11-15)18-17(20)21-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyIBQLNUCDRMSSBJ-ZDUSSCGKSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate (CID 14023270) is benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate?
The InChIKey is IBQLNUCDRMSSBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(16(19)15-10-6-3-7-11-15)18-17(20)21-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 14023270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).