tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate

C25H27NO2 — CID 58261829

IUPACtert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
SMILESCc1ccc(-c2ccc(N(C(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H27NO2/c1-18-6-10-20(11-7-18)21-12-16-23(17-13-21)26(24(27)28-25(3,4)5)22-14-8-19(2)9-15-22/h6-17H,1-5H3
InChIKeyFKPCRKPDCCLRHS-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.04
Rot. Bonds3

About tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate

tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate (PubChem CID 58261829) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
PubChem CID58261829
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Nametert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
SMILESCc1ccc(-c2ccc(N(C(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H27NO2/c1-18-6-10-20(11-7-18)21-12-16-23(17-13-21)26(24(27)28-25(3,4)5)22-14-8-19(2)9-15-22/h6-17H,1-5H3
InChIKeyFKPCRKPDCCLRHS-UHFFFAOYSA-N
XLogP7.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate (CID 58261829) is tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate is Cc1ccc(-c2ccc(N(C(=O)OC(C)(C)C)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate?
The InChIKey is FKPCRKPDCCLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-18-6-10-20(11-7-18)21-12-16-23(17-13-21)26(24(27)28-25(3,4)5)22-14-8-19(2)9-15-22/h6-17H,1-5H3.
What are the key properties of tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate?
tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate has a molecular weight of 373.50 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate is sourced from PubChem (CID 58261829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).