3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide

C20H23FN2O3 — CID 113119354

IUPAC3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-3-26-19-7-5-4-6-18(19)22-20(25)12-13-23(15(2)24)14-16-8-10-17(21)11-9-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyUMIBROALJMJMQT-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.60
Rot. Bonds8

About 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113119354) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113119354
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-3-26-19-7-5-4-6-18(19)22-20(25)12-13-23(15(2)24)14-16-8-10-17(21)11-9-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyUMIBROALJMJMQT-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide (CID 113119354) is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(Cc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is UMIBROALJMJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-26-19-7-5-4-6-18(19)22-20(25)12-13-23(15(2)24)14-16-8-10-17(21)11-9-16/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 358.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113119354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).