N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide

C21H20N2O3 — CID 111661798

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C21H20N2O3/c24-13-14-9-10-15(11-14)22-20(25)12-23-18-7-3-1-5-16(18)21(26)17-6-2-4-8-19(17)23/h1-10,14-15,24H,11-13H2,(H,22,25)/t14-,15+/m0/s1
InChIKeySZKHCRXJKMPLOE-LSDHHAIUSA-N
MW348.40 g/mol
LogP2.21
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 111661798) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID111661798
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C21H20N2O3/c24-13-14-9-10-15(11-14)22-20(25)12-23-18-7-3-1-5-16(18)21(26)17-6-2-4-8-19(17)23/h1-10,14-15,24H,11-13H2,(H,22,25)/t14-,15+/m0/s1
InChIKeySZKHCRXJKMPLOE-LSDHHAIUSA-N
XLogP2.21
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111661251
2-(9-oxoacridin-10-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387578
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
CID 111661356
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
2-(9-oxoacridin-10-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 60616940
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-[2-(aminomethyl)cyclohexyl]-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119610481
N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 26053126
N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
N-[4-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-4-oxobutyl]benzamide
CID 111661232
3-chloro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzothiophene-2-carboxamide
CID 111661150

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide (CID 111661798) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is SZKHCRXJKMPLOE-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-13-14-9-10-15(11-14)22-20(25)12-23-18-7-3-1-5-16(18)21(26)17-6-2-4-8-19(17)23/h1-10,14-15,24H,11-13H2,(H,22,25)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 111661798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).