4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide

C17H25BrN2O4 — CID 55742240

IUPAC4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCCCN2CCOCC2)cc(OC)c1Br
InChIInChI=1S/C17H25BrN2O4/c1-22-14-11-13(12-15(23-2)16(14)18)17(21)19-5-3-4-6-20-7-9-24-10-8-20/h11-12H,3-10H2,1-2H3,(H,19,21)
InChIKeyCPJVYOMSCOLURE-UHFFFAOYSA-N
MW401.30 g/mol
LogP2.31
Rot. Bonds8

About 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide

4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide (PubChem CID 55742240) has the molecular formula C17H25BrN2O4 and a molecular weight of 401.30 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
PubChem CID55742240
Molecular FormulaC17H25BrN2O4
Molecular Weight401.30 g/mol
Exact Mass400.10
IUPAC Name4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCCCN2CCOCC2)cc(OC)c1Br
InChIInChI=1S/C17H25BrN2O4/c1-22-14-11-13(12-15(23-2)16(14)18)17(21)19-5-3-4-6-20-7-9-24-10-8-20/h11-12H,3-10H2,1-2H3,(H,19,21)
InChIKeyCPJVYOMSCOLURE-UHFFFAOYSA-N
XLogP2.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide (CID 55742240) is 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide is COc1cc(C(=O)NCCCCN2CCOCC2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide?
The InChIKey is CPJVYOMSCOLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O4/c1-22-14-11-13(12-15(23-2)16(14)18)17(21)19-5-3-4-6-20-7-9-24-10-8-20/h11-12H,3-10H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide?
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide has a molecular weight of 401.30 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide is sourced from PubChem (CID 55742240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).