(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide

C26H32FN3O2 — CID 93119934

IUPAC(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCCn1cc([C@@H](CC(=O)NCCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C26H32FN3O2/c1-2-30-19-24(22-6-3-4-7-25(22)30)23(20-8-10-21(27)11-9-20)18-26(31)28-12-5-13-29-14-16-32-17-15-29/h3-4,6-11,19,23H,2,5,12-18H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyIFOGRCRLPAAIFU-QHCPKHFHSA-N
MW437.56 g/mol
LogP4.16
Rot. Bonds9

About (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide

(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 93119934) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID93119934
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCCn1cc([C@@H](CC(=O)NCCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C26H32FN3O2/c1-2-30-19-24(22-6-3-4-7-25(22)30)23(20-8-10-21(27)11-9-20)18-26(31)28-12-5-13-29-14-16-32-17-15-29/h3-4,6-11,19,23H,2,5,12-18H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyIFOGRCRLPAAIFU-QHCPKHFHSA-N
XLogP4.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 98437405
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
(3S)-3-(3,4-dichlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98443806
(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92912022
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 98438529
(3R)-3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93120215
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 93120180
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide (CID 93119934) is (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide is CCn1cc([C@@H](CC(=O)NCCCN2CCOCC2)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is IFOGRCRLPAAIFU-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-2-30-19-24(22-6-3-4-7-25(22)30)23(20-8-10-21(27)11-9-20)18-26(31)28-12-5-13-29-14-16-32-17-15-29/h3-4,6-11,19,23H,2,5,12-18H2,1H3,(H,28,31)/t23-/m0/s1.
What are the key properties of (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 437.56 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 93119934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).