phenyl N-[4-(dimethylamino)phenyl]carbamate

C15H16N2O2 — CID 895662

IUPACphenyl N-[4-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17(2)13-10-8-12(9-11-13)16-15(18)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,16,18)
InChIKeyONMIXKXTPKQWAZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.36
Rot. Bonds3

About phenyl N-[4-(dimethylamino)phenyl]carbamate

phenyl N-[4-(dimethylamino)phenyl]carbamate (PubChem CID 895662) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is phenyl N-[4-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(dimethylamino)phenyl]carbamate
PubChem CID895662
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namephenyl N-[4-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-17(2)13-10-8-12(9-11-13)16-15(18)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,16,18)
InChIKeyONMIXKXTPKQWAZ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(dimethylamino)phenyl]carbamate?
The IUPAC name of phenyl N-[4-(dimethylamino)phenyl]carbamate (CID 895662) is phenyl N-[4-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(dimethylamino)phenyl]carbamate?
The canonical SMILES for phenyl N-[4-(dimethylamino)phenyl]carbamate is CN(C)c1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[4-(dimethylamino)phenyl]carbamate?
The InChIKey is ONMIXKXTPKQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(2)13-10-8-12(9-11-13)16-15(18)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,16,18).
What are the key properties of phenyl N-[4-(dimethylamino)phenyl]carbamate?
phenyl N-[4-(dimethylamino)phenyl]carbamate has a molecular weight of 256.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 895662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).