4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide

C18H28N2O4 — CID 51159452

IUPAC4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-3-4-11-24-16-6-5-15(14-17(16)22-2)18(21)19-7-8-20-9-12-23-13-10-20/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,21)
InChIKeyJVUCYGVSQNLBCE-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.94
Rot. Bonds9

About 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide

4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 51159452) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID51159452
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-3-4-11-24-16-6-5-15(14-17(16)22-2)18(21)19-7-8-20-9-12-23-13-10-20/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,21)
InChIKeyJVUCYGVSQNLBCE-UHFFFAOYSA-N
XLogP1.94
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.94
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-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 51159452) is 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide is CCCCOc1ccc(C(=O)NCCN2CCOCC2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is JVUCYGVSQNLBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-3-4-11-24-16-6-5-15(14-17(16)22-2)18(21)19-7-8-20-9-12-23-13-10-20/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,21).
What are the key properties of 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide?
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 336.43 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 51159452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).