tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate

C20H24N2O3 — CID 7667817

IUPACtert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-10-17(14(2)11-13)22-18(23)15-7-6-8-16(12-15)21-19(24)25-20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyJIOUMDRXVOGHSX-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.90
Rot. Bonds3

About tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate

tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 7667817) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
PubChem CID7667817
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-10-17(14(2)11-13)22-18(23)15-7-6-8-16(12-15)21-19(24)25-20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChIKeyJIOUMDRXVOGHSX-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
tert-butyl N-[3-(2-amino-4-methylanilino)phenyl]carbamate
CID 118119863
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate (CID 7667817) is tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate is Cc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1.
What is the InChIKey of tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is JIOUMDRXVOGHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-9-10-17(14(2)11-13)22-18(23)15-7-6-8-16(12-15)21-19(24)25-20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 7667817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).