N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C29H30N4O2 — CID 37216571

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C29H30N4O2/c34-29(30-20-25-6-1-2-7-26(25)22-32-16-18-35-19-17-32)28-9-4-3-8-27(28)24-12-10-23(11-13-24)21-33-15-5-14-31-33/h1-15H,16-22H2,(H,30,34)
InChIKeyAWWMLOYGSFZXKR-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.36
Rot. Bonds8

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 37216571) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID37216571
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C29H30N4O2/c34-29(30-20-25-6-1-2-7-26(25)22-32-16-18-35-19-17-32)28-9-4-3-8-27(28)24-12-10-23(11-13-24)21-33-15-5-14-31-33/h1-15H,16-22H2,(H,30,34)
InChIKeyAWWMLOYGSFZXKR-UHFFFAOYSA-N
XLogP4.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111375235
1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 46633048
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 56548066
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630817
N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47090894
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532623
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55797224

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 37216571) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is AWWMLOYGSFZXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c34-29(30-20-25-6-1-2-7-26(25)22-32-16-18-35-19-17-32)28-9-4-3-8-27(28)24-12-10-23(11-13-24)21-33-15-5-14-31-33/h1-15H,16-22H2,(H,30,34).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 37216571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).