4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide

C26H25NO4 — CID 23471925

IUPAC4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3c(=O)c4cc(C)cc(C)c4oc3c2)cc1
InChIInChI=1S/C26H25NO4/c1-4-5-12-30-20-9-6-18(7-10-20)26(29)27-19-8-11-21-23(15-19)31-25-17(3)13-16(2)14-22(25)24(21)28/h6-11,13-15H,4-5,12H2,1-3H3,(H,27,29)
InChIKeyGIPCBCZYDQOZHR-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.99
Rot. Bonds6

About 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide

4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide (PubChem CID 23471925) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide
PubChem CID23471925
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc3c(=O)c4cc(C)cc(C)c4oc3c2)cc1
InChIInChI=1S/C26H25NO4/c1-4-5-12-30-20-9-6-18(7-10-20)26(29)27-19-8-11-21-23(15-19)31-25-17(3)13-16(2)14-22(25)24(21)28/h6-11,13-15H,4-5,12H2,1-3H3,(H,27,29)
InChIKeyGIPCBCZYDQOZHR-UHFFFAOYSA-N
XLogP5.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide
CID 23471992
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
3-[5-[3-(dimethylamino)propoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-N-phenylbenzamide
CID 139462429
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide (CID 23471925) is 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc3c(=O)c4cc(C)cc(C)c4oc3c2)cc1.
What is the InChIKey of 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide?
The InChIKey is GIPCBCZYDQOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-4-5-12-30-20-9-6-18(7-10-20)26(29)27-19-8-11-21-23(15-19)31-25-17(3)13-16(2)14-22(25)24(21)28/h6-11,13-15H,4-5,12H2,1-3H3,(H,27,29).
What are the key properties of 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide?
4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 23471925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).