4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide

C18H19N3O3 — CID 86821841

IUPAC4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19N3O3/c19-17(22)13-4-6-14(7-5-13)18(23)20-15-2-1-3-16(12-15)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H2,19,22)(H,20,23)
InChIKeyVRENXAQXNCXCDB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.87
Rot. Bonds4

About 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide

4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 86821841) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID86821841
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19N3O3/c19-17(22)13-4-6-14(7-5-13)18(23)20-15-2-1-3-16(12-15)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H2,19,22)(H,20,23)
InChIKeyVRENXAQXNCXCDB-UHFFFAOYSA-N
XLogP1.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide (CID 86821841) is 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1.
What is the InChIKey of 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is VRENXAQXNCXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-17(22)13-4-6-14(7-5-13)18(23)20-15-2-1-3-16(12-15)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H2,19,22)(H,20,23).
What are the key properties of 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide?
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 86821841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).