3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

C23H26N4O3 — CID 55977960

IUPAC3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)c1
InChIInChI=1S/C23H26N4O3/c1-17(2)16-30-21-9-4-7-19(13-21)23(29)24-14-18-6-3-8-20(12-18)26-22(28)15-27-11-5-10-25-27/h3-13,17H,14-16H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyRHXNSLVZGHMSMR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.49
Rot. Bonds9

About 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (PubChem CID 55977960) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
PubChem CID55977960
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)c1
InChIInChI=1S/C23H26N4O3/c1-17(2)16-30-21-9-4-7-19(13-21)23(29)24-14-18-6-3-8-20(12-18)26-22(28)15-27-11-5-10-25-27/h3-13,17H,14-16H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyRHXNSLVZGHMSMR-UHFFFAOYSA-N
XLogP3.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984
4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55978865
2-amino-3-methoxy-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 120986988
N-[3-[[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 111401211
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55954551
methyl 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 25290649
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55954553
methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 55847451

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (CID 55977960) is 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is CC(C)COc1cccc(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is RHXNSLVZGHMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17(2)16-30-21-9-4-7-19(13-21)23(29)24-14-18-6-3-8-20(12-18)26-22(28)15-27-11-5-10-25-27/h3-13,17H,14-16H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55977960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).