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

C21H17N3O2 — CID 18962360

IUPACN-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(O)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C21H17N3O2/c1-13(25)22-14-10-15(12-16(26)11-14)23-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-12,26H,1H3,(H,22,25)(H,23,24)
InChIKeyPOBYUAAXAJJAQQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.80
Rot. Bonds3

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

N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide (PubChem CID 18962360) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
PubChem CID18962360
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(O)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C21H17N3O2/c1-13(25)22-14-10-15(12-16(26)11-14)23-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-12,26H,1H3,(H,22,25)(H,23,24)
InChIKeyPOBYUAAXAJJAQQ-UHFFFAOYSA-N
XLogP4.80
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.80
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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Related Compounds

N-[3-(acridin-9-ylamino)-5-(2-methylsulfonylethoxymethyl)phenyl]acetamide
CID 18962410
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide
CID 11315175
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxopentanamide
CID 18962402
[2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-2-oxoethyl]carbamic acid
CID 22994845
4-[3-(acridin-9-ylamino)-5-(3-carboxypropanoyloxymethyl)anilino]-4-oxobutanoic acid
CID 10414142
1-[4-(acridin-9-ylamino)phenyl]-3-phenylurea;hydron;chloride
CID 50987018
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propanoic acid
CID 18962341
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid
CID 18962347
(Z)-3-[3-(acridin-9-ylamino)phenyl]prop-2-enoic acid
CID 90679762
1-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-3-(3-fluorophenyl)urea
CID 87605863
[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698

Frequently Asked Questions

What is the IUPAC name of N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide (CID 18962360) is N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide is CC(=O)Nc1cc(O)cc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide?
The InChIKey is POBYUAAXAJJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13(25)22-14-10-15(12-16(26)11-14)23-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-12,26H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide?
N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 4.80, 3 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-hydroxyphenyl]acetamide is sourced from PubChem (CID 18962360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).