2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide

C14H20FN3O3 — CID 107718569

IUPAC2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C14H20FN3O3/c1-4-17-14(20)18-13(19)9(3)21-10-5-6-11(8(2)16)12(15)7-10/h5-9H,4,16H2,1-3H3,(H2,17,18,19,20)/t8-,9?/m1/s1
InChIKeyIZUIZGQITJSRNC-VEDVMXKPSA-N
MW297.33 g/mol
LogP1.46
Rot. Bonds5

About 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 107718569) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID107718569
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C14H20FN3O3/c1-4-17-14(20)18-13(19)9(3)21-10-5-6-11(8(2)16)12(15)7-10/h5-9H,4,16H2,1-3H3,(H2,17,18,19,20)/t8-,9?/m1/s1
InChIKeyIZUIZGQITJSRNC-VEDVMXKPSA-N
XLogP1.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
CID 107718925
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 2103321
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
N-(ethylcarbamoyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 107684125

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide (CID 107718569) is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is IZUIZGQITJSRNC-VEDVMXKPSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-4-17-14(20)18-13(19)9(3)21-10-5-6-11(8(2)16)12(15)7-10/h5-9H,4,16H2,1-3H3,(H2,17,18,19,20)/t8-,9?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide?
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 297.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 107718569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).