2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C20H24N2O3 — CID 86830423

IUPAC2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(O)c1C
InChIInChI=1S/C20H24N2O3/c1-14-3-8-18(19(23)15(14)2)20(24)21-13-16-4-6-17(7-5-16)22-9-11-25-12-10-22/h3-8,23H,9-13H2,1-2H3,(H,21,24)
InChIKeyODASTKYBRXCTAD-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.78
Rot. Bonds4

About 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 86830423) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID86830423
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(O)c1C
InChIInChI=1S/C20H24N2O3/c1-14-3-8-18(19(23)15(14)2)20(24)21-13-16-4-6-17(7-5-16)22-9-11-25-12-10-22/h3-8,23H,9-13H2,1-2H3,(H,21,24)
InChIKeyODASTKYBRXCTAD-UHFFFAOYSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86861797
3-methoxy-5-methyl-N-[(4-morpholin-4-ylphenyl)methyl]thiophene-2-carboxamide
CID 166205855
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 86830423) is 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(O)c1C.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is ODASTKYBRXCTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-3-8-18(19(23)15(14)2)20(24)21-13-16-4-6-17(7-5-16)22-9-11-25-12-10-22/h3-8,23H,9-13H2,1-2H3,(H,21,24).
What are the key properties of 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 86830423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).