N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate

C20H17N2O3- — CID 154710035

IUPACN-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate
SMILESO=C([O-])N(c1ccccc1)C(c1ccccc1)N(O)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-20(24)21(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)22(25)18-14-8-3-9-15-18/h1-15,19,25H,(H,23,24)/p-1
InChIKeyQOIKZMDKTPOBII-UHFFFAOYSA-M
MW333.37 g/mol
LogP3.43
Rot. Bonds5

About N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate

N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate (PubChem CID 154710035) has the molecular formula C20H17N2O3- and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate.

Molecular Properties

Compound NameN-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate
PubChem CID154710035
Molecular FormulaC20H17N2O3-
Molecular Weight333.37 g/mol
Exact Mass333.12
IUPAC NameN-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate
SMILESO=C([O-])N(c1ccccc1)C(c1ccccc1)N(O)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-20(24)21(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)22(25)18-14-8-3-9-15-18/h1-15,19,25H,(H,23,24)/p-1
InChIKeyQOIKZMDKTPOBII-UHFFFAOYSA-M
XLogP3.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate?
The IUPAC name of N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate (CID 154710035) is N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate.
What is the SMILES notation for N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate?
The canonical SMILES for N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate is O=C([O-])N(c1ccccc1)C(c1ccccc1)N(O)c1ccccc1.
What is the InChIKey of N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate?
The InChIKey is QOIKZMDKTPOBII-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18N2O3/c23-20(24)21(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)22(25)18-14-8-3-9-15-18/h1-15,19,25H,(H,23,24)/p-1.
What are the key properties of N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate?
N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate has a molecular weight of 333.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(N-hydroxyanilino)-phenylmethyl]-N-phenylcarbamate is sourced from PubChem (CID 154710035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).