4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide

C19H22N2O2 — CID 110637249

IUPAC4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOC(C)C3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-3-5-16(6-4-14)19(22)20-17-7-9-18(10-8-17)21-11-12-23-15(2)13-21/h3-10,15H,11-13H2,1-2H3,(H,20,22)
InChIKeyWVEGOOHPTFZMJU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.47
Rot. Bonds3

About 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide

4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide (PubChem CID 110637249) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
PubChem CID110637249
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOC(C)C3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-14-3-5-16(6-4-14)19(22)20-17-7-9-18(10-8-17)21-11-12-23-15(2)13-21/h3-10,15H,11-13H2,1-2H3,(H,20,22)
InChIKeyWVEGOOHPTFZMJU-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
CID 95634857
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-methoxyphenyl)-4-[[2-(2-methylmorpholin-4-yl)acetyl]amino]benzamide
CID 46677637
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide (CID 110637249) is 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCOC(C)C3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
The InChIKey is WVEGOOHPTFZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-3-5-16(6-4-14)19(22)20-17-7-9-18(10-8-17)21-11-12-23-15(2)13-21/h3-10,15H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide?
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide is sourced from PubChem (CID 110637249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).