N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide

C23H22N4O2 — CID 11315175

IUPACN-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide
SMILESCC(N)C(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C23H22N4O2/c1-14(24)23(29)26-17-11-15(13-28)10-16(12-17)25-22-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)22/h2-12,14,28H,13,24H2,1H3,(H,25,27)(H,26,29)
InChIKeyBAPGHAJUBDQKHL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.91
Rot. Bonds5

About N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide

N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide (PubChem CID 11315175) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide.

Molecular Properties

Compound NameN-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide
PubChem CID11315175
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide
SMILESCC(N)C(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C23H22N4O2/c1-14(24)23(29)26-17-11-15(13-28)10-16(12-17)25-22-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)22/h2-12,14,28H,13,24H2,1H3,(H,25,27)(H,26,29)
InChIKeyBAPGHAJUBDQKHL-UHFFFAOYSA-N
XLogP3.91
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide?
The IUPAC name of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide (CID 11315175) is N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide.
What is the SMILES notation for N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide?
The canonical SMILES for N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide is CC(N)C(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide?
The InChIKey is BAPGHAJUBDQKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14(24)23(29)26-17-11-15(13-28)10-16(12-17)25-22-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)22/h2-12,14,28H,13,24H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide?
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide has a molecular weight of 386.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide is sourced from PubChem (CID 11315175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).