N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide

C25H23NO4 — CID 23471992

IUPACN-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(=O)c4cc(C)c(C)cc4oc3c2)cc1
InChIInChI=1S/C25H23NO4/c1-4-11-29-19-8-5-17(6-9-19)25(28)26-18-7-10-20-23(14-18)30-22-13-16(3)15(2)12-21(22)24(20)27/h5-10,12-14H,4,11H2,1-3H3,(H,26,28)
InChIKeyZDAQDEJPUCYBNI-UHFFFAOYSA-N
MW401.46 g/mol
LogP5.60
Rot. Bonds5

About N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide

N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide (PubChem CID 23471992) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide
PubChem CID23471992
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC NameN-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(=O)c4cc(C)c(C)cc4oc3c2)cc1
InChIInChI=1S/C25H23NO4/c1-4-11-29-19-8-5-17(6-9-19)25(28)26-18-7-10-20-23(14-18)30-22-13-16(3)15(2)12-21(22)24(20)27/h5-10,12-14H,4,11H2,1-3H3,(H,26,28)
InChIKeyZDAQDEJPUCYBNI-UHFFFAOYSA-N
XLogP5.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide 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

4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide
CID 23471925
N-(6,7-dimethyl-9-oxoxanthen-3-yl)-3-nitrobenzamide
CID 23471985
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
CID 4894452
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide?
The IUPAC name of N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide (CID 23471992) is N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide?
The canonical SMILES for N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc3c(=O)c4cc(C)c(C)cc4oc3c2)cc1.
What is the InChIKey of N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide?
The InChIKey is ZDAQDEJPUCYBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-4-11-29-19-8-5-17(6-9-19)25(28)26-18-7-10-20-23(14-18)30-22-13-16(3)15(2)12-21(22)24(20)27/h5-10,12-14H,4,11H2,1-3H3,(H,26,28).
What are the key properties of N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide?
N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide has a molecular weight of 401.46 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide is sourced from PubChem (CID 23471992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).