benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate

C19H22N2O4 — CID 155973532

IUPACbenzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate
SMILESCC(CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-15(21-19(23)25-14-17-10-6-3-7-11-17)12-20-18(22)24-13-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyPZLXYNLCMCCEMK-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.23
Rot. Bonds7

About benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate

benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate (PubChem CID 155973532) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate
PubChem CID155973532
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate
SMILESCC(CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-15(21-19(23)25-14-17-10-6-3-7-11-17)12-20-18(22)24-13-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyPZLXYNLCMCCEMK-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate (CID 155973532) is benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate is CC(CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate?
The InChIKey is PZLXYNLCMCCEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-15(21-19(23)25-14-17-10-6-3-7-11-17)12-20-18(22)24-13-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate?
benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate has a molecular weight of 342.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate is sourced from PubChem (CID 155973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).