tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate

C24H28N4O3 — CID 55849666

IUPACtert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate
SMILESCc1cnn(-c2ccc(C(=O)Nc3cccc(CN(C)C(=O)OC(C)(C)C)c3)cc2)c1
InChIInChI=1S/C24H28N4O3/c1-17-14-25-28(15-17)21-11-9-19(10-12-21)22(29)26-20-8-6-7-18(13-20)16-27(5)23(30)31-24(2,3)4/h6-15H,16H2,1-5H3,(H,26,29)
InChIKeyDIYIWCDFRAMSNP-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.80
Rot. Bonds5

About tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate (PubChem CID 55849666) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate
PubChem CID55849666
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nametert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate
SMILESCc1cnn(-c2ccc(C(=O)Nc3cccc(CN(C)C(=O)OC(C)(C)C)c3)cc2)c1
InChIInChI=1S/C24H28N4O3/c1-17-14-25-28(15-17)21-11-9-19(10-12-21)22(29)26-20-8-6-7-18(13-20)16-27(5)23(30)31-24(2,3)4/h6-15H,16H2,1-5H3,(H,26,29)
InChIKeyDIYIWCDFRAMSNP-UHFFFAOYSA-N
XLogP4.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-methyl-N-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]carbamate
CID 55647075
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069
tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate
CID 55851321
tert-butyl N-[[3-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl]-N-methylcarbamate
CID 55647227
tert-butyl N-[[3-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 60510983
tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 55801691
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
tert-butyl N-[[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55850427
tert-butyl N-[[3-[2-[(4-bromobenzoyl)amino]propanoylamino]phenyl]methyl]-N-methylcarbamate
CID 42959152
tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate (CID 55849666) is tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate is Cc1cnn(-c2ccc(C(=O)Nc3cccc(CN(C)C(=O)OC(C)(C)C)c3)cc2)c1.
What is the InChIKey of tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate?
The InChIKey is DIYIWCDFRAMSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-14-25-28(15-17)21-11-9-19(10-12-21)22(29)26-20-8-6-7-18(13-20)16-27(5)23(30)31-24(2,3)4/h6-15H,16H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 55849666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).