(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone

C28H38N2O — CID 16733878

IUPAC(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone
SMILESCCCCc1cc2ccccn2c1C(=O)c1ccc(CCCN(CCC)CCC)cc1
InChIInChI=1S/C28H38N2O/c1-4-7-12-25-22-26-13-8-9-21-30(26)27(25)28(31)24-16-14-23(15-17-24)11-10-20-29(18-5-2)19-6-3/h8-9,13-17,21-22H,4-7,10-12,18-20H2,1-3H3
InChIKeyQZDKQEMPCNODAX-UHFFFAOYSA-N
MW418.63 g/mol
LogP6.57
Rot. Bonds13

About (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone

(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone (PubChem CID 16733878) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone.

Molecular Properties

Compound Name(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone
PubChem CID16733878
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC Name(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone
SMILESCCCCc1cc2ccccn2c1C(=O)c1ccc(CCCN(CCC)CCC)cc1
InChIInChI=1S/C28H38N2O/c1-4-7-12-25-22-26-13-8-9-21-30(26)27(25)28(31)24-16-14-23(15-17-24)11-10-20-29(18-5-2)19-6-3/h8-9,13-17,21-22H,4-7,10-12,18-20H2,1-3H3
InChIKeyQZDKQEMPCNODAX-UHFFFAOYSA-N
XLogP6.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone
CID 16734134
(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride
CID 16734133
[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride
CID 16733875
(2-butylindolizin-3-yl)-[4-[3-(propylamino)propyl]phenyl]methanone;hydrochloride
CID 16734825
5-(2-butylindolizine-3-carbonyl)-8-[3-[butyl(propyl)amino]propyl]-1,4-benzodioxine-2,3-dione
CID 140531891
2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide
CID 57334659
methyl (2S)-2-[[2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]indolizine-7-carbonyl]-ethylamino]propanoate
CID 57334658
methane;methyl (2S)-2-[[2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]indolizine-7-carbonyl]-ethylamino]propanoate
CID 161476051
[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 12844816
[2,3-dichloro-4-[3-(dibutylamino)propoxy]phenyl]-(2-ethylindolizin-3-yl)methanone
CID 13069480
(3,5-dichloro-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
CID 13029405
4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
CID 58300403

Frequently Asked Questions

What is the IUPAC name of (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone?
The IUPAC name of (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone (CID 16733878) is (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone.
What is the SMILES notation for (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone?
The canonical SMILES for (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone is CCCCc1cc2ccccn2c1C(=O)c1ccc(CCCN(CCC)CCC)cc1.
What is the InChIKey of (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone?
The InChIKey is QZDKQEMPCNODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O/c1-4-7-12-25-22-26-13-8-9-21-30(26)27(25)28(31)24-16-14-23(15-17-24)11-10-20-29(18-5-2)19-6-3/h8-9,13-17,21-22H,4-7,10-12,18-20H2,1-3H3.
What are the key properties of (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone?
(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone has a molecular weight of 418.63 g/mol, XLogP of 6.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone is sourced from PubChem (CID 16733878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).