[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone

C32H38N2O2 — CID 12844816

IUPAC[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C32H38N2O2/c1-3-5-20-33(21-6-4-2)22-12-24-36-29-18-16-27(17-19-29)32(35)31-30(26-13-8-7-9-14-26)25-28-15-10-11-23-34(28)31/h7-11,13-19,23,25H,3-6,12,20-22,24H2,1-2H3
InChIKeyWCXVFYISWJFMOA-UHFFFAOYSA-N
MW482.67 g/mol
LogP7.51
Rot. Bonds14

About [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone

[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone (PubChem CID 12844816) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
PubChem CID12844816
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C32H38N2O2/c1-3-5-20-33(21-6-4-2)22-12-24-36-29-18-16-27(17-19-29)32(35)31-30(26-13-8-7-9-14-26)25-28-15-10-11-23-34(28)31/h7-11,13-19,23,25H,3-6,12,20-22,24H2,1-2H3
InChIKeyWCXVFYISWJFMOA-UHFFFAOYSA-N
XLogP7.51
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(dibutylamino)propoxy]benzoyl]-2-phenylindolizine-7-carboxylic acid
CID 19754424
[3,5-dichloro-4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 13029587
[2,3-dichloro-4-[3-(dibutylamino)propoxy]phenyl]-(2-ethylindolizin-3-yl)methanone
CID 13069480
(1-chloro-2-phenylindolizin-3-yl)-[3,5-dibromo-4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 13069406
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
[4-[3-[methyl(octadecyl)amino]propoxy]phenyl]-phenylmethanone
CID 118461102
[3-bromo-4-[3-(dibutylamino)propoxy]phenyl]-(1-methoxy-2-phenylindolizin-3-yl)methanone
CID 13069439
(5-amino-3-butyl-1-methylindol-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid
CID 19754300
(E)-1-[4-[4-(dibutylamino)butoxy]phenyl]-3-phenylprop-2-en-1-one
CID 118715723
[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride
CID 16733875
N-ethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2371420
(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
CID 2326958

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone?
The IUPAC name of [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone (CID 12844816) is [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone.
What is the SMILES notation for [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone?
The canonical SMILES for [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone is CCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1.
What is the InChIKey of [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone?
The InChIKey is WCXVFYISWJFMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-3-5-20-33(21-6-4-2)22-12-24-36-29-18-16-27(17-19-29)32(35)31-30(26-13-8-7-9-14-26)25-28-15-10-11-23-34(28)31/h7-11,13-19,23,25H,3-6,12,20-22,24H2,1-2H3.
What are the key properties of [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone?
[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone has a molecular weight of 482.67 g/mol, XLogP of 7.51, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone is sourced from PubChem (CID 12844816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).