N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide

C26H24N2O3 — CID 59414687

IUPACN-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C26H24N2O3/c1-4-26(2,3)25(31)28-17-14-12-16(13-15-17)27-21-11-7-10-20-22(21)24(30)19-9-6-5-8-18(19)23(20)29/h5-15,27H,4H2,1-3H3,(H,28,31)
InChIKeyHPSJFZOQSRLRMI-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.58
Rot. Bonds5

About N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide

N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide (PubChem CID 59414687) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide
PubChem CID59414687
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C26H24N2O3/c1-4-26(2,3)25(31)28-17-14-12-16(13-15-17)27-21-11-7-10-20-22(21)24(30)19-9-6-5-8-18(19)23(20)29/h5-15,27H,4H2,1-3H3,(H,28,31)
InChIKeyHPSJFZOQSRLRMI-UHFFFAOYSA-N
XLogP5.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide 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-[4-[[9,10-dioxo-4-[4-(propanoylamino)anilino]anthracen-1-yl]amino]phenyl]propanamide
CID 21486208
tert-butyl N-[2-acetamido-5-[(9,10-dioxoanthracen-1-yl)amino]phenyl]carbamate
CID 90935896
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
CID 87444428
(9,10-dioxoanthracen-1-yl) 2,2-dimethylbutanoate
CID 118679871
[2-(tert-butylamino)-2-oxoethyl]-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-methylazanium
CID 8766730
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275

Frequently Asked Questions

What is the IUPAC name of N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide (CID 59414687) is N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide?
The InChIKey is HPSJFZOQSRLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-26(2,3)25(31)28-17-14-12-16(13-15-17)27-21-11-7-10-20-22(21)24(30)19-9-6-5-8-18(19)23(20)29/h5-15,27H,4H2,1-3H3,(H,28,31).
What are the key properties of N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide?
N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide has a molecular weight of 412.49 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(9,10-dioxoanthracen-1-yl)amino]phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 59414687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).