N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C26H31FN2O3 — CID 42910330

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C26H31FN2O3/c27-23-9-7-20(8-10-23)24(29-13-15-32-16-14-29)18-28-26(31)12-11-25(30)22-6-5-19-3-1-2-4-21(19)17-22/h5-10,17,24H,1-4,11-16,18H2,(H,28,31)
InChIKeyYHVIWYAEOREMQQ-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.86
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 42910330) has the molecular formula C26H31FN2O3 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID42910330
Molecular FormulaC26H31FN2O3
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C26H31FN2O3/c27-23-9-7-20(8-10-23)24(29-13-15-32-16-14-29)18-28-26(31)12-11-25(30)22-6-5-19-3-1-2-4-21(19)17-22/h5-10,17,24H,1-4,11-16,18H2,(H,28,31)
InChIKeyYHVIWYAEOREMQQ-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 42910330) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is YHVIWYAEOREMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O3/c27-23-9-7-20(8-10-23)24(29-13-15-32-16-14-29)18-28-26(31)12-11-25(30)22-6-5-19-3-1-2-4-21(19)17-22/h5-10,17,24H,1-4,11-16,18H2,(H,28,31).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 438.54 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 42910330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).