N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide

C24H31FN2O2 — CID 110304177

IUPACN-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
SMILESCCc1ccc(C(CNC(=O)CCCc2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-2-19-6-10-21(11-7-19)23(27-14-16-29-17-15-27)18-26-24(28)5-3-4-20-8-12-22(25)13-9-20/h6-13,23H,2-5,14-18H2,1H3,(H,26,28)
InChIKeyMVBDWXIOLUYSFQ-UHFFFAOYSA-N
MW398.52 g/mol
LogP3.90
Rot. Bonds9

About N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide

N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide (PubChem CID 110304177) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
PubChem CID110304177
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
SMILESCCc1ccc(C(CNC(=O)CCCc2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-2-19-6-10-21(11-7-19)23(27-14-16-29-17-15-27)18-26-24(28)5-3-4-20-8-12-22(25)13-9-20/h6-13,23H,2-5,14-18H2,1H3,(H,26,28)
InChIKeyMVBDWXIOLUYSFQ-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypropanamide
CID 86929388
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51181050
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyphenyl)propanamide
CID 51334260
1-(4-butylphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiourea
CID 8684251
1-(4-butylphenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiourea
CID 8684253

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide?
The IUPAC name of N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide (CID 110304177) is N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide is CCc1ccc(C(CNC(=O)CCCc2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide?
The InChIKey is MVBDWXIOLUYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-2-19-6-10-21(11-7-19)23(27-14-16-29-17-15-27)18-26-24(28)5-3-4-20-8-12-22(25)13-9-20/h6-13,23H,2-5,14-18H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide?
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide has a molecular weight of 398.52 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110304177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).