tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate

C24H32N2O4 — CID 132820274

IUPACtert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C24H32N2O4/c1-15-13-17(25-21(27)29-23(3,4)5)9-11-19(15)20-12-10-18(14-16(20)2)26-22(28)30-24(6,7)8/h9-14H,1-8H3,(H,25,27)(H,26,28)
InChIKeyUFPVEZGJORMZRM-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.66
Rot. Bonds3

About tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate

tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate (PubChem CID 132820274) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
PubChem CID132820274
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Nametert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C24H32N2O4/c1-15-13-17(25-21(27)29-23(3,4)5)9-11-19(15)20-12-10-18(14-16(20)2)26-22(28)30-24(6,7)8/h9-14H,1-8H3,(H,25,27)(H,26,28)
InChIKeyUFPVEZGJORMZRM-UHFFFAOYSA-N
XLogP6.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 164562081
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tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
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tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
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tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl methanesulfonate
CID 87119211
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
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tert-butyl N-(3-isocyanato-4-methylphenyl)carbamate
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CID 158687232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate (CID 132820274) is tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate is Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1ccc(NC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate?
The InChIKey is UFPVEZGJORMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-15-13-17(25-21(27)29-23(3,4)5)9-11-19(15)20-12-10-18(14-16(20)2)26-22(28)30-24(6,7)8/h9-14H,1-8H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate?
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate has a molecular weight of 412.53 g/mol, XLogP of 6.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate is sourced from PubChem (CID 132820274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).