N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide

C21H25N3O2 — CID 119666357

IUPACN-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCCCCC(CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-2-3-8-15(13-22)23-20(25)14-24-18-11-6-4-9-16(18)21(26)17-10-5-7-12-19(17)24/h4-7,9-12,15H,2-3,8,13-14,22H2,1H3,(H,23,25)
InChIKeyKTRGGWNXVATTGW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.79
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide

N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 119666357) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide
PubChem CID119666357
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide
SMILESCCCCC(CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-2-3-8-15(13-22)23-20(25)14-24-18-11-6-4-9-16(18)21(26)17-10-5-7-12-19(17)24/h4-7,9-12,15H,2-3,8,13-14,22H2,1H3,(H,23,25)
InChIKeyKTRGGWNXVATTGW-UHFFFAOYSA-N
XLogP2.79
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.79
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-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide (CID 119666357) is N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide is CCCCC(CN)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KTRGGWNXVATTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-3-8-15(13-22)23-20(25)14-24-18-11-6-4-9-16(18)21(26)17-10-5-7-12-19(17)24/h4-7,9-12,15H,2-3,8,13-14,22H2,1H3,(H,23,25).
What are the key properties of N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide?
N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 119666357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).