2-(2-phenyldiazenylphenyl)propan-2-yl carbamate

C16H17N3O2 — CID 87148092

IUPAC2-(2-phenyldiazenylphenyl)propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-16(2,21-15(17)20)13-10-6-7-11-14(13)19-18-12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,17,20)/b19-18+
InChIKeyCKAXYDLCWDVEIS-VHEBQXMUSA-N
MW283.33 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate

2-(2-phenyldiazenylphenyl)propan-2-yl carbamate (PubChem CID 87148092) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate.

Molecular Properties

Compound Name2-(2-phenyldiazenylphenyl)propan-2-yl carbamate
PubChem CID87148092
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2-phenyldiazenylphenyl)propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-16(2,21-15(17)20)13-10-6-7-11-14(13)19-18-12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,17,20)/b19-18+
InChIKeyCKAXYDLCWDVEIS-VHEBQXMUSA-N
XLogP4.43
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
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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Related Compounds

4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-
CID 31525
[Diphenyl(phenyldiazenyl)methyl] acetate
CID 243551
benzyl N-phenyliminocarbamate
CID 57099544
Bis[(2-aminophenyl)methyl] carbonate
CID 67076382
Diphenylmethane diisocyanate urethane
CID 129701831
[1-(3-Aminophenyl)-3-(4-fluorophenyl)-4,4-dimethylpentan-3-yl] carbamate
CID 67469278
[2-[(3-Aminophenyl)methyl]-1-(4-fluorophenyl)-3,3-dimethylbutyl] carbamate
CID 67469280
2-[2-[(2-Fluorophenyl)diazenyl]phenyl]propan-2-yl carbamate
CID 87121263
[3-(3-Aminophenyl)-1-(4-fluorophenyl)-4,4-dimethylpentyl] carbamate
CID 160977500
1-(2-Amino-5-fluorophenyl)prop-2-enyl carbamate
CID 174585317
[2-(Carbamoyloxymethyl)phenyl]imino-iminoazanium
CID 131953486
[[(2-Methylphenyl)diazenyl]-phenylmethyl] acetate
CID 134935593

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate?
The IUPAC name of 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate (CID 87148092) is 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate.
What is the SMILES notation for 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate?
The canonical SMILES for 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate is CC(C)(OC(N)=O)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate?
The InChIKey is CKAXYDLCWDVEIS-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,21-15(17)20)13-10-6-7-11-14(13)19-18-12-8-4-3-5-9-12/h3-11H,1-2H3,(H2,17,20)/b19-18+.
What are the key properties of 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate?
2-(2-phenyldiazenylphenyl)propan-2-yl carbamate has a molecular weight of 283.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyldiazenylphenyl)propan-2-yl carbamate is sourced from PubChem (CID 87148092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).