tert-butyl N,N-bis(4-methylphenyl)carbamate

C19H23NO2 — CID 139528055

IUPACtert-butyl N,N-bis(4-methylphenyl)carbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-14-6-10-16(11-7-14)20(18(21)22-19(3,4)5)17-12-8-15(2)9-13-17/h6-13H,1-5H3
InChIKeyVAWPPXLJIMMETR-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.38
Rot. Bonds2

About tert-butyl N,N-bis(4-methylphenyl)carbamate

tert-butyl N,N-bis(4-methylphenyl)carbamate (PubChem CID 139528055) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N,N-bis(4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(4-methylphenyl)carbamate
PubChem CID139528055
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N,N-bis(4-methylphenyl)carbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-14-6-10-16(11-7-14)20(18(21)22-19(3,4)5)17-12-8-15(2)9-13-17/h6-13H,1-5H3
InChIKeyVAWPPXLJIMMETR-UHFFFAOYSA-N
XLogP5.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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-iodophenyl)-N-(4-methylphenyl)carbamate
CID 165178410
tert-butyl N-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-formylpyrimidin-4-yl]-N-(4-methylphenyl)carbamate
CID 142394012
tert-butyl N-[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(hydroxymethyl)pyrimidin-4-yl]-N-(4-methylphenyl)carbamate
CID 142393956
tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
CID 11089738
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
tert-butyl N-[4-(4-bromophenyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 46868827
tert-butyl N-[(4-methylphenyl)methyl]-N-trimethylsilylcarbamate
CID 102250527
2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39379328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(4-methylphenyl)carbamate (CID 139528055) is tert-butyl N,N-bis(4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(4-methylphenyl)carbamate is Cc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of tert-butyl N,N-bis(4-methylphenyl)carbamate?
The InChIKey is VAWPPXLJIMMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-6-10-16(11-7-14)20(18(21)22-19(3,4)5)17-12-8-15(2)9-13-17/h6-13H,1-5H3.
What are the key properties of tert-butyl N,N-bis(4-methylphenyl)carbamate?
tert-butyl N,N-bis(4-methylphenyl)carbamate has a molecular weight of 297.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(4-methylphenyl)carbamate is sourced from PubChem (CID 139528055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).