N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide

C22H27N3O3 — CID 166637532

IUPACN-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide
SMILESCCN(CC)CCc1c(OC)ccc2c1c(=O)c1ccccc1n2NC(C)=O
InChIInChI=1S/C22H27N3O3/c1-5-24(6-2)14-13-17-20(28-4)12-11-19-21(17)22(27)16-9-7-8-10-18(16)25(19)23-15(3)26/h7-12H,5-6,13-14H2,1-4H3,(H,23,26)
InChIKeyVJTQIAWKWDZQDW-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.14
Rot. Bonds7

About N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide

N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide (PubChem CID 166637532) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide
PubChem CID166637532
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide
SMILESCCN(CC)CCc1c(OC)ccc2c1c(=O)c1ccccc1n2NC(C)=O
InChIInChI=1S/C22H27N3O3/c1-5-24(6-2)14-13-17-20(28-4)12-11-19-21(17)22(27)16-9-7-8-10-18(16)25(19)23-15(3)26/h7-12H,5-6,13-14H2,1-4H3,(H,23,26)
InChIKeyVJTQIAWKWDZQDW-UHFFFAOYSA-N
XLogP3.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide (CID 166637532) is N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide is CCN(CC)CCc1c(OC)ccc2c1c(=O)c1ccccc1n2NC(C)=O.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide?
The InChIKey is VJTQIAWKWDZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-24(6-2)14-13-17-20(28-4)12-11-19-21(17)22(27)16-9-7-8-10-18(16)25(19)23-15(3)26/h7-12H,5-6,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide?
N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]-2-methoxy-9-oxoacridin-10-yl]acetamide is sourced from PubChem (CID 166637532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).