N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C27H27N3O3 — CID 16605709

IUPACN-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C27H27N3O3/c1-17-13-18(2)26(19(3)14-17)28-24(31)15-29(4)25(32)16-30-22-11-7-5-9-20(22)27(33)21-10-6-8-12-23(21)30/h5-14H,15-16H2,1-4H3,(H,28,31)
InChIKeyQHQVJTJJKXGLCG-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.18
Rot. Bonds5

About N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 16605709) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID16605709
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1
InChIInChI=1S/C27H27N3O3/c1-17-13-18(2)26(19(3)14-17)28-24(31)15-29(4)25(32)16-30-22-11-7-5-9-20(22)27(33)21-10-6-8-12-23(21)30/h5-14H,15-16H2,1-4H3,(H,28,31)
InChIKeyQHQVJTJJKXGLCG-UHFFFAOYSA-N
XLogP4.18
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808848
N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 39920536
N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 27784209
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55736891

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 16605709) is N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1.
What is the InChIKey of N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is QHQVJTJJKXGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-17-13-18(2)26(19(3)14-17)28-24(31)15-29(4)25(32)16-30-22-11-7-5-9-20(22)27(33)21-10-6-8-12-23(21)30/h5-14H,15-16H2,1-4H3,(H,28,31).
What are the key properties of N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(9-oxoacridin-10-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 16605709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).