propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate

C17H18N2O3 — CID 69250380

IUPACpropan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate
SMILESCOc1ccc(-c2ccccc2)cc1/N=N/C(=O)OC(C)C
InChIInChI=1S/C17H18N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12H,1-3H3/b19-18+
InChIKeyAGTBLMHWQIEASU-VHEBQXMUSA-N
MW298.34 g/mol
LogP4.99
Rot. Bonds4

About propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate

propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate (PubChem CID 69250380) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate
PubChem CID69250380
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namepropan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate
SMILESCOc1ccc(-c2ccccc2)cc1/N=N/C(=O)OC(C)C
InChIInChI=1S/C17H18N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12H,1-3H3/b19-18+
InChIKeyAGTBLMHWQIEASU-VHEBQXMUSA-N
XLogP4.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate?
The IUPAC name of propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate (CID 69250380) is propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate.
What is the SMILES notation for propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate?
The canonical SMILES for propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate is COc1ccc(-c2ccccc2)cc1/N=N/C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate?
The InChIKey is AGTBLMHWQIEASU-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12H,1-3H3/b19-18+.
What are the key properties of propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate?
propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate has a molecular weight of 298.34 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate is sourced from PubChem (CID 69250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).