3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide

C21H25FN2O3 — CID 113121357

IUPAC3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCOc1cccc(CCN(CCC(=O)NCc2ccccc2F)C(C)=O)c1
InChIInChI=1S/C21H25FN2O3/c1-16(25)24(12-10-17-6-5-8-19(14-17)27-2)13-11-21(26)23-15-18-7-3-4-9-20(18)22/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyIVNHAABTTSSWAD-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.93
Rot. Bonds9

About 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113121357) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113121357
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCOc1cccc(CCN(CCC(=O)NCc2ccccc2F)C(C)=O)c1
InChIInChI=1S/C21H25FN2O3/c1-16(25)24(12-10-17-6-5-8-19(14-17)27-2)13-11-21(26)23-15-18-7-3-4-9-20(18)22/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyIVNHAABTTSSWAD-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121353
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164665
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
methyl 2-[3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]propanoylamino]benzoate
CID 113121431
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide (CID 113121357) is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide is COc1cccc(CCN(CCC(=O)NCc2ccccc2F)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is IVNHAABTTSSWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-16(25)24(12-10-17-6-5-8-19(14-17)27-2)13-11-21(26)23-15-18-7-3-4-9-20(18)22/h3-9,14H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 372.44 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113121357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).