tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate

C22H28N2O5 — CID 26704671

IUPACtert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESCOc1cc(C)c(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC
InChIInChI=1S/C22H28N2O5/c1-14-11-18(27-5)19(28-6)12-17(14)24-20(25)16-9-7-15(8-10-16)13-23-21(26)29-22(2,3)4/h7-12H,13H2,1-6H3,(H,23,26)(H,24,25)
InChIKeyUPYCKPQSAQURFR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 26704671) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID26704671
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Nametert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
SMILESCOc1cc(C)c(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC
InChIInChI=1S/C22H28N2O5/c1-14-11-18(27-5)19(28-6)12-17(14)24-20(25)16-9-7-15(8-10-16)13-23-21(26)29-22(2,3)4/h7-12H,13H2,1-6H3,(H,23,26)(H,24,25)
InChIKeyUPYCKPQSAQURFR-UHFFFAOYSA-N
XLogP4.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoic acid
CID 163196860
tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9077789
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[[4-[(2,4-difluorophenyl)carbamoyl]phenyl]methyl]carbamate
CID 9078733
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493
tert-butyl N-[[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 71940520
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 17476260
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate (CID 26704671) is tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate is COc1cc(C)c(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC.
What is the InChIKey of tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is UPYCKPQSAQURFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-14-11-18(27-5)19(28-6)12-17(14)24-20(25)16-9-7-15(8-10-16)13-23-21(26)29-22(2,3)4/h7-12H,13H2,1-6H3,(H,23,26)(H,24,25).
What are the key properties of tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 26704671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).