2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide

C19H22N2O4 — CID 26269457

IUPAC2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1OC
InChIInChI=1S/C19H22N2O4/c1-23-17-5-3-4-16(18(17)24-2)19(22)20-14-6-8-15(9-7-14)21-10-12-25-13-11-21/h3-9H,10-13H2,1-2H3,(H,20,22)
InChIKeyDESKWSMDHLNUJU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.79
Rot. Bonds5

About 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide

2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 26269457) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID26269457
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1OC
InChIInChI=1S/C19H22N2O4/c1-23-17-5-3-4-16(18(17)24-2)19(22)20-14-6-8-15(9-7-14)21-10-12-25-13-11-21/h3-9H,10-13H2,1-2H3,(H,20,22)
InChIKeyDESKWSMDHLNUJU-UHFFFAOYSA-N
XLogP2.79
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853
7-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812399
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide (CID 26269457) is 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is DESKWSMDHLNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-17-5-3-4-16(18(17)24-2)19(22)20-14-6-8-15(9-7-14)21-10-12-25-13-11-21/h3-9H,10-13H2,1-2H3,(H,20,22).
What are the key properties of 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide?
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 26269457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).