N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide

C19H21N3O2 — CID 119496675

IUPACN-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(N)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-13(20)10-11-21-18(23)12-22-16-8-4-2-6-14(16)19(24)15-7-3-5-9-17(15)22/h2-9,13H,10-12,20H2,1H3,(H,21,23)
InChIKeyXMGKDRFHJYITTK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.01
Rot. Bonds5

About N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide

N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 119496675) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID119496675
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCC(N)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-13(20)10-11-21-18(23)12-22-16-8-4-2-6-14(16)19(24)15-7-3-5-9-17(15)22/h2-9,13H,10-12,20H2,1H3,(H,21,23)
InChIKeyXMGKDRFHJYITTK-UHFFFAOYSA-N
XLogP2.01
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide (CID 119496675) is N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide is CC(N)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is XMGKDRFHJYITTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(20)10-11-21-18(23)12-22-16-8-4-2-6-14(16)19(24)15-7-3-5-9-17(15)22/h2-9,13H,10-12,20H2,1H3,(H,21,23).
What are the key properties of N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide?
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 119496675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).