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'}

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Related Compounds

(2S)-N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2,6-diaminohexanamide
CID 21359233
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxopentanamide
CID 18962402
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propanoic acid
CID 18962341
[2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-2-oxoethyl]carbamic acid
CID 22994845
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid
CID 18962347
1-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-3-(3-fluorophenyl)urea
CID 87605863
N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
CID 18962360
4-[3-(acridin-9-ylamino)-5-(3-carboxypropanoyloxymethyl)anilino]-4-oxobutanoic acid
CID 10414142
2-[3-(acridin-9-ylamino)-5-(2-carboxyethoxymethyl)anilino]propanoic acid
CID 57083632
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)-2-(2-methyl-4-oxopentanoyl)phenyl]-2-methyl-4-oxopentanamide
CID 18962406
N-[3-(acridin-9-ylamino)-5-(2-methylsulfonylethoxymethyl)phenyl]acetamide
CID 18962410

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).