N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C24H25FN2O2 — CID 55595750

IUPACN-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2/c1-2-19-5-7-20(8-6-19)17-27(18-21-4-3-14-26-16-21)24(28)13-15-29-23-11-9-22(25)10-12-23/h3-12,14,16H,2,13,15,17-18H2,1H3
InChIKeyRNXVEYJPFBRZFE-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.78
Rot. Bonds9

About N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 55595750) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID55595750
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC NameN-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2/c1-2-19-5-7-20(8-6-19)17-27(18-21-4-3-14-26-16-21)24(28)13-15-29-23-11-9-22(25)10-12-23/h3-12,14,16H,2,13,15,17-18H2,1H3
InChIKeyRNXVEYJPFBRZFE-UHFFFAOYSA-N
XLogP4.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550
4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 651073
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563444
N-[3-(diethylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 42783231
N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135993476
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 55595750) is N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(CN(Cc2cccnc2)C(=O)CCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is RNXVEYJPFBRZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-2-19-5-7-20(8-6-19)17-27(18-21-4-3-14-26-16-21)24(28)13-15-29-23-11-9-22(25)10-12-23/h3-12,14,16H,2,13,15,17-18H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 392.47 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 55595750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).