tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate

C18H20INO2 — CID 165178410

IUPACtert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)c2ccccc2I)cc1
InChIInChI=1S/C18H20INO2/c1-13-9-11-14(12-10-13)20(17(21)22-18(2,3)4)16-8-6-5-7-15(16)19/h5-12H,1-4H3
InChIKeyIKYMGDLCHJJMJL-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.67
Rot. Bonds2

About tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate

tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate (PubChem CID 165178410) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
PubChem CID165178410
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Nametert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)c2ccccc2I)cc1
InChIInChI=1S/C18H20INO2/c1-13-9-11-14(12-10-13)20(17(21)22-18(2,3)4)16-8-6-5-7-15(16)19/h5-12H,1-4H3
InChIKeyIKYMGDLCHJJMJL-UHFFFAOYSA-N
XLogP5.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
CID 58261829
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoate
CID 7022399
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
tert-butyl N-(2-iodophenyl)-N-[(2-iodophenyl)carbamoyl]carbamate
CID 171397270
tert-butyl N,N-bis(2-bromophenyl)carbamate
CID 101464564
tert-butyl N-[4-[4-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]phenyl]-N-(4-aminophenyl)carbamate
CID 142297581
tert-butyl N-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-formylpyrimidin-4-yl]-N-(4-methylphenyl)carbamate
CID 142394012
tert-butyl N-buta-2,3-dienyl-N-(2-iodophenyl)carbamate
CID 132516346
tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
CID 11089738
2-iodo-N-(4-methylphenyl)-N-phenylaniline
CID 139772467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate (CID 165178410) is tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate is Cc1ccc(N(C(=O)OC(C)(C)C)c2ccccc2I)cc1.
What is the InChIKey of tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate?
The InChIKey is IKYMGDLCHJJMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-13-9-11-14(12-10-13)20(17(21)22-18(2,3)4)16-8-6-5-7-15(16)19/h5-12H,1-4H3.
What are the key properties of tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate?
tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate has a molecular weight of 409.27 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate is sourced from PubChem (CID 165178410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).