7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one

C22H31NO2 — CID 130460757

IUPAC7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one
SMILESCCCCN(CCCCCC1CCC1)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C22H31NO2/c1-2-3-15-23(16-6-4-5-8-18-9-7-10-18)20-13-11-19-12-14-22(24)25-21(19)17-20/h11-14,17-18H,2-10,15-16H2,1H3
InChIKeyWPMFEBMBAOQNMK-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.76
Rot. Bonds10

About 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one

7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one (PubChem CID 130460757) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one.

Molecular Properties

Compound Name7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one
PubChem CID130460757
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one
SMILESCCCCN(CCCCCC1CCC1)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C22H31NO2/c1-2-3-15-23(16-6-4-5-8-18-9-7-10-18)20-13-11-19-12-14-22(24)25-21(19)17-20/h11-14,17-18H,2-10,15-16H2,1H3
InChIKeyWPMFEBMBAOQNMK-UHFFFAOYSA-N
XLogP5.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one with MolForge

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

Launch Full Analysis

Related Compounds

7-(diethylamino)chromen-2-one;formonitrile
CID 134347975
7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
7-(diethoxyamino)chromen-2-one
CID 141287948
7-(diethylamino)chromen-2-one;2-methylidenepropanedinitrile
CID 175090342
[10-(dioctylamino)-6-oxochromeno[4,3-b]chromen-3-ylidene]-dimethylazanium
CID 123138139
3-tert-butyl-7-(dipropylamino)chromen-2-one
CID 86168184
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
6-(dioctylamino)-3H-2-benzofuran-1-one
CID 56614723
8-(dibutylamino)chromen-2-one
CID 170160199
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447
dimethyl(oxo)phosphanium;hexylcyclobutane
CID 173138999
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486

Frequently Asked Questions

What is the IUPAC name of 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one?
The IUPAC name of 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one (CID 130460757) is 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one.
What is the SMILES notation for 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one?
The canonical SMILES for 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one is CCCCN(CCCCCC1CCC1)c1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one?
The InChIKey is WPMFEBMBAOQNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-2-3-15-23(16-6-4-5-8-18-9-7-10-18)20-13-11-19-12-14-22(24)25-21(19)17-20/h11-14,17-18H,2-10,15-16H2,1H3.
What are the key properties of 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one?
7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one has a molecular weight of 341.50 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[butyl(5-cyclobutylpentyl)amino]chromen-2-one is sourced from PubChem (CID 130460757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).