N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide

C24H19NO4 — CID 3318461

IUPACN-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H19NO4/c1-29-16-12-9-15(10-13-16)11-14-21(26)25-20-8-4-7-19-22(20)24(28)18-6-3-2-5-17(18)23(19)27/h2-10,12-13H,11,14H2,1H3,(H,25,26)
InChIKeyXBMTZRKOQRWRQM-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.04
Rot. Bonds5

About N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide

N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 3318461) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID3318461
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H19NO4/c1-29-16-12-9-15(10-13-16)11-14-21(26)25-20-8-4-7-19-22(20)24(28)18-6-3-2-5-17(18)23(19)27/h2-10,12-13H,11,14H2,1H3,(H,25,26)
InChIKeyXBMTZRKOQRWRQM-UHFFFAOYSA-N
XLogP4.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide 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

3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide
CID 46376204
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 43028331
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34503940
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829673
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-(9,10-dioxoanthracen-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 27204408

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide (CID 3318461) is N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is XBMTZRKOQRWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-29-16-12-9-15(10-13-16)11-14-21(26)25-20-8-4-7-19-22(20)24(28)18-6-3-2-5-17(18)23(19)27/h2-10,12-13H,11,14H2,1H3,(H,25,26).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide?
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 385.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3318461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).