N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide

C22H26N2O2 — CID 25348614

IUPACN-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(C)C[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-15(2)13-16(3)23(4)21(25)14-24-19-11-7-5-9-17(19)22(26)18-10-6-8-12-20(18)24/h5-12,15-16H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyQDOWFFFZXYKIPG-INIZCTEOSA-N
MW350.46 g/mol
LogP4.05
Rot. Bonds5

About N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide

N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 25348614) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID25348614
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(C)C[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-15(2)13-16(3)23(4)21(25)14-24-19-11-7-5-9-17(19)22(26)18-10-6-8-12-20(18)24/h5-12,15-16H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyQDOWFFFZXYKIPG-INIZCTEOSA-N
XLogP4.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide (CID 25348614) is N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide is CC(C)C[C@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is QDOWFFFZXYKIPG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)13-16(3)23(4)21(25)14-24-19-11-7-5-9-17(19)22(26)18-10-6-8-12-20(18)24/h5-12,15-16H,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide?
N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 25348614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).