4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide

C20H32N2O4 — CID 55519495

IUPAC4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC(C(C)C)N2CCOCC2)cc1
InChIInChI=1S/C20H32N2O4/c1-16(2)19(22-10-13-25-14-11-22)15-21-20(23)5-4-12-26-18-8-6-17(24-3)7-9-18/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,21,23)
InChIKeyPQVHADOXROXPKM-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.33
Rot. Bonds10

About 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide

4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide (PubChem CID 55519495) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
PubChem CID55519495
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC(C(C)C)N2CCOCC2)cc1
InChIInChI=1S/C20H32N2O4/c1-16(2)19(22-10-13-25-14-11-22)15-21-20(23)5-4-12-26-18-8-6-17(24-3)7-9-18/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,21,23)
InChIKeyPQVHADOXROXPKM-UHFFFAOYSA-N
XLogP2.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide (CID 55519495) is 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide is COc1ccc(OCCCC(=O)NCC(C(C)C)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
The InChIKey is PQVHADOXROXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-16(2)19(22-10-13-25-14-11-22)15-21-20(23)5-4-12-26-18-8-6-17(24-3)7-9-18/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,21,23).
What are the key properties of 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide has a molecular weight of 364.49 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide is sourced from PubChem (CID 55519495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).