tert-butyl N-amino-N-(4-phenylphenyl)carbamate

C17H20N2O2 — CID 12032338

IUPACtert-butyl N-amino-N-(4-phenylphenyl)carbamate
SMILESCC(C)(C)OC(=O)N(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,18H2,1-3H3
InChIKeyDLGYTWYYSKVUGR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl N-amino-N-(4-phenylphenyl)carbamate

tert-butyl N-amino-N-(4-phenylphenyl)carbamate (PubChem CID 12032338) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-amino-N-(4-phenylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-(4-phenylphenyl)carbamate
PubChem CID12032338
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-amino-N-(4-phenylphenyl)carbamate
SMILESCC(C)(C)OC(=O)N(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,18H2,1-3H3
InChIKeyDLGYTWYYSKVUGR-UHFFFAOYSA-N
XLogP3.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 tert-butyl N-amino-N-(4-phenylphenyl)carbamate?
The IUPAC name of tert-butyl N-amino-N-(4-phenylphenyl)carbamate (CID 12032338) is tert-butyl N-amino-N-(4-phenylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-amino-N-(4-phenylphenyl)carbamate?
The canonical SMILES for tert-butyl N-amino-N-(4-phenylphenyl)carbamate is CC(C)(C)OC(=O)N(N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-amino-N-(4-phenylphenyl)carbamate?
The InChIKey is DLGYTWYYSKVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19(18)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,18H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-(4-phenylphenyl)carbamate?
tert-butyl N-amino-N-(4-phenylphenyl)carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-(4-phenylphenyl)carbamate is sourced from PubChem (CID 12032338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).