phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate

C16H16N2O4 — CID 59584174

IUPACphenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate
SMILESO=C(NCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-15(21-13-7-3-1-4-8-13)17-11-12-18-16(20)22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
InChIKeyAGEVKGGOAARXHW-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.56
Rot. Bonds5

About phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate

phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate (PubChem CID 59584174) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate
PubChem CID59584174
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namephenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate
SMILESO=C(NCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-15(21-13-7-3-1-4-8-13)17-11-12-18-16(20)22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
InChIKeyAGEVKGGOAARXHW-UHFFFAOYSA-N
XLogP2.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate (CID 59584174) is phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate is O=C(NCCNC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate?
The InChIKey is AGEVKGGOAARXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(21-13-7-3-1-4-8-13)17-11-12-18-16(20)22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20).
What are the key properties of phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate?
phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate has a molecular weight of 300.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(phenoxycarbonylamino)ethyl]carbamate is sourced from PubChem (CID 59584174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).