benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate

C20H24N2O5 — CID 3090849

IUPACbenzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-19(26-15-17-7-3-1-4-8-17)21-11-13-25-14-12-22-20(24)27-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKeyWHDWFMZBTHOBGF-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.86
Rot. Bonds10

About benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate

benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate (PubChem CID 3090849) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate
PubChem CID3090849
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namebenzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-19(26-15-17-7-3-1-4-8-17)21-11-13-25-14-12-22-20(24)27-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKeyWHDWFMZBTHOBGF-UHFFFAOYSA-N
XLogP2.86
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate (CID 3090849) is benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate is O=C(NCCOCCNC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate?
The InChIKey is WHDWFMZBTHOBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-19(26-15-17-7-3-1-4-8-17)21-11-13-25-14-12-22-20(24)27-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate?
benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate has a molecular weight of 372.42 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]carbamate is sourced from PubChem (CID 3090849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).