3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide

C21H23FN2O4 — CID 84565960

IUPAC3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H23FN2O4/c1-27-18-4-2-3-5-19(18)28-14-21(26)24(17-10-11-17)13-12-20(25)23-16-8-6-15(22)7-9-16/h2-9,17H,10-14H2,1H3,(H,23,25)
InChIKeyBUCQHSMHWKEGJX-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.23
Rot. Bonds9

About 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide (PubChem CID 84565960) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
PubChem CID84565960
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H23FN2O4/c1-27-18-4-2-3-5-19(18)28-14-21(26)24(17-10-11-17)13-12-20(25)23-16-8-6-15(22)7-9-16/h2-9,17H,10-14H2,1H3,(H,23,25)
InChIKeyBUCQHSMHWKEGJX-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 84566029
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682
N-(3-bromophenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84565965
5-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-hydroxybenzoic acid
CID 84566023
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
N-(5-acetamido-2-ethylphenyl)-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84566672
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
CID 84566637
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 84564048
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-pentylpropanamide
CID 84565149
2-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]-2-phenylacetic acid
CID 84565799

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide (CID 84565960) is 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide is COc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide?
The InChIKey is BUCQHSMHWKEGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-18-4-2-3-5-19(18)28-14-21(26)24(17-10-11-17)13-12-20(25)23-16-8-6-15(22)7-9-16/h2-9,17H,10-14H2,1H3,(H,23,25).
What are the key properties of 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide?
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide has a molecular weight of 386.42 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 84565960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).