N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide

C27H28N2O4 — CID 16583698

IUPACN-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCCC
InChIInChI=1S/C27H28N2O4/c1-3-15-32-24-14-13-19(17-25(24)33-16-4-2)28-26(30)18-29-22-11-7-5-9-20(22)27(31)21-10-6-8-12-23(21)29/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,28,30)
InChIKeyHFWNHEXVVAQRDN-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.37
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide

N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16583698) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16583698
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCCC
InChIInChI=1S/C27H28N2O4/c1-3-15-32-24-14-13-19(17-25(24)33-16-4-2)28-26(30)18-29-22-11-7-5-9-20(22)27(31)21-10-6-8-12-23(21)29/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,28,30)
InChIKeyHFWNHEXVVAQRDN-UHFFFAOYSA-N
XLogP5.37
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.37
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-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55692126
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
CID 55840369
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 35617607
2-(9-oxoacridin-10-yl)-N-(2-oxochromen-6-yl)acetamide
CID 47059966
2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide
CID 60622690
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16583700
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide (CID 16583698) is N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide is CCCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is HFWNHEXVVAQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-3-15-32-24-14-13-19(17-25(24)33-16-4-2)28-26(30)18-29-22-11-7-5-9-20(22)27(31)21-10-6-8-12-23(21)29/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,28,30).
What are the key properties of N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 444.53 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16583698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).