phenyl N-(phenoxycarbonylamino)carbamate

C14H12N2O4 — CID 14365715

IUPACphenyl N-(phenoxycarbonylamino)carbamate
SMILESO=C(NNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H12N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
InChIKeyVWEMOMMJSLAZNO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.48
Rot. Bonds2

About phenyl N-(phenoxycarbonylamino)carbamate

phenyl N-(phenoxycarbonylamino)carbamate (PubChem CID 14365715) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is phenyl N-(phenoxycarbonylamino)carbamate.

Molecular Properties

Compound Namephenyl N-(phenoxycarbonylamino)carbamate
PubChem CID14365715
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namephenyl N-(phenoxycarbonylamino)carbamate
SMILESO=C(NNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H12N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
InChIKeyVWEMOMMJSLAZNO-UHFFFAOYSA-N
XLogP2.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
3-(benzamidocarbamoyloxy)benzoic acid
CID 10566112
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenol;phenyl hydrogen carbonate
CID 23470013
bis(phenoxycarbonylamino) (E)-but-2-enedioate
CID 88500231
phenyl N-(2-oxopropyl)carbamate
CID 18713777
phenyl N-(2-aminoacetyl)carbamate
CID 20596874
phenyl N-(2,4-dichloroanilino)carbamate
CID 154093412

Frequently Asked Questions

What is the IUPAC name of phenyl N-(phenoxycarbonylamino)carbamate?
The IUPAC name of phenyl N-(phenoxycarbonylamino)carbamate (CID 14365715) is phenyl N-(phenoxycarbonylamino)carbamate.
What is the SMILES notation for phenyl N-(phenoxycarbonylamino)carbamate?
The canonical SMILES for phenyl N-(phenoxycarbonylamino)carbamate is O=C(NNC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-(phenoxycarbonylamino)carbamate?
The InChIKey is VWEMOMMJSLAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18).
What are the key properties of phenyl N-(phenoxycarbonylamino)carbamate?
phenyl N-(phenoxycarbonylamino)carbamate has a molecular weight of 272.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(phenoxycarbonylamino)carbamate is sourced from PubChem (CID 14365715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).