N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide

C23H27N5O2 — CID 78817610

IUPACN-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H27N5O2/c1-15-9-11-18(12-10-15)13-25-23(30)19-7-5-6-8-20(19)24-14-21(29)26-22-16(2)27-28(4)17(22)3/h5-12,24H,13-14H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyPHIRQEZKBOLTAK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.33
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide

N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide (PubChem CID 78817610) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
PubChem CID78817610
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H27N5O2/c1-15-9-11-18(12-10-15)13-25-23(30)19-7-5-6-8-20(19)24-14-21(29)26-22-16(2)27-28(4)17(22)3/h5-12,24H,13-14H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyPHIRQEZKBOLTAK-UHFFFAOYSA-N
XLogP3.33
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78815790
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 112801271
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 78823802
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633
2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55493349
N-cyclopropyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 30635153
2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 8010305
2-[2-(2-chlorophenoxy)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911711
2-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 16518695

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide (CID 78817610) is N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
The InChIKey is PHIRQEZKBOLTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-9-11-18(12-10-15)13-25-23(30)19-7-5-6-8-20(19)24-14-21(29)26-22-16(2)27-28(4)17(22)3/h5-12,24H,13-14H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide is sourced from PubChem (CID 78817610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).