N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide

C27H26N2O4 — CID 60574719

IUPACN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCC2CCCO2)c1
InChIInChI=1S/C27H26N2O4/c1-18-12-13-22(25(15-18)33-17-19-7-6-14-32-19)28-26(30)16-29-23-10-4-2-8-20(23)27(31)21-9-3-5-11-24(21)29/h2-5,8-13,15,19H,6-7,14,16-17H2,1H3,(H,28,30)
InChIKeyKNATZFXMMUCHMO-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.66
Rot. Bonds6

About N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 60574719) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID60574719
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCC2CCCO2)c1
InChIInChI=1S/C27H26N2O4/c1-18-12-13-22(25(15-18)33-17-19-7-6-14-32-19)28-26(30)16-29-23-10-4-2-8-20(23)27(31)21-9-3-5-11-24(21)29/h2-5,8-13,15,19H,6-7,14,16-17H2,1H3,(H,28,30)
InChIKeyKNATZFXMMUCHMO-UHFFFAOYSA-N
XLogP4.66
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(9-oxoacridin-10-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 42950421
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574673
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60574936
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 166192418

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide (CID 60574719) is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide is Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OCC2CCCO2)c1.
What is the InChIKey of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KNATZFXMMUCHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-18-12-13-22(25(15-18)33-17-19-7-6-14-32-19)28-26(30)16-29-23-10-4-2-8-20(23)27(31)21-9-3-5-11-24(21)29/h2-5,8-13,15,19H,6-7,14,16-17H2,1H3,(H,28,30).
What are the key properties of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 60574719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).