4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

C25H32N2O5 — CID 3853330

IUPAC4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1
InChIInChI=1S/C25H32N2O5/c1-4-5-12-31-22-8-6-20(7-9-22)25(29)26-21-15-18(2)24(19(3)16-21)32-17-23(28)27-10-13-30-14-11-27/h6-9,15-16H,4-5,10-14,17H2,1-3H3,(H,26,29)
InChIKeyVYIKIHJMDHJENV-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.97
Rot. Bonds9

About 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 3853330) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID3853330
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1
InChIInChI=1S/C25H32N2O5/c1-4-5-12-31-22-8-6-20(7-9-22)25(29)26-21-15-18(2)24(19(3)16-21)32-17-23(28)27-10-13-30-14-11-27/h6-9,15-16H,4-5,10-14,17H2,1-3H3,(H,26,29)
InChIKeyVYIKIHJMDHJENV-UHFFFAOYSA-N
XLogP3.97
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.97
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-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 3853330) is 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is VYIKIHJMDHJENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-4-5-12-31-22-8-6-20(7-9-22)25(29)26-21-15-18(2)24(19(3)16-21)32-17-23(28)27-10-13-30-14-11-27/h6-9,15-16H,4-5,10-14,17H2,1-3H3,(H,26,29).
What are the key properties of 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 3853330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).