N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide

C22H19N3O2 — CID 10316278

IUPACN-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O2/c1-14(27)23-16-10-15(13-26)11-17(12-16)24-22-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)22/h2-12,26H,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyIKPUIEPKAQVINR-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.58
Rot. Bonds4

About N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide

N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide (PubChem CID 10316278) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide
PubChem CID10316278
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O2/c1-14(27)23-16-10-15(13-26)11-17(12-16)24-22-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)22/h2-12,26H,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyIKPUIEPKAQVINR-UHFFFAOYSA-N
XLogP4.58
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide (CID 10316278) is N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide is CC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide?
The InChIKey is IKPUIEPKAQVINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14(27)23-16-10-15(13-26)11-17(12-16)24-22-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)22/h2-12,26H,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide?
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 10316278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).