N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

C29H32N2O4 — CID 55502933

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCCC
InChIInChI=1S/C29H32N2O4/c1-4-16-34-26-15-14-21(18-27(26)35-17-5-2)20(3)30-28(32)19-31-24-12-8-6-10-22(24)29(33)23-11-7-9-13-25(23)31/h6-15,18,20H,4-5,16-17,19H2,1-3H3,(H,30,32)
InChIKeyRXLJIELXEOHXNI-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.61
Rot. Bonds10

About N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 55502933) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID55502933
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCCC
InChIInChI=1S/C29H32N2O4/c1-4-16-34-26-15-14-21(18-27(26)35-17-5-2)20(3)30-28(32)19-31-24-12-8-6-10-22(24)29(33)23-11-7-9-13-25(23)31/h6-15,18,20H,4-5,16-17,19H2,1-3H3,(H,30,32)
InChIKeyRXLJIELXEOHXNI-UHFFFAOYSA-N
XLogP5.61
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.61
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

N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16583698
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25337144
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30044158
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9109111
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 46514677
(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
CID 40637276

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 55502933) is N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is CCCOc1ccc(C(C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCCC.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is RXLJIELXEOHXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-4-16-34-26-15-14-21(18-27(26)35-17-5-2)20(3)30-28(32)19-31-24-12-8-6-10-22(24)29(33)23-11-7-9-13-25(23)31/h6-15,18,20H,4-5,16-17,19H2,1-3H3,(H,30,32).
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 55502933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).