2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide

C15H22FN3O3 — CID 86826839

IUPAC2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)NC(C)COc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O3/c1-3-8-17-14(20)9-18-15(21)19-11(2)10-22-13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyHQPLJXYGTPACRK-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.42
Rot. Bonds8

About 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide

2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide (PubChem CID 86826839) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide
PubChem CID86826839
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Name2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)NC(C)COc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O3/c1-3-8-17-14(20)9-18-15(21)19-11(2)10-22-13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyHQPLJXYGTPACRK-UHFFFAOYSA-N
XLogP1.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butylsulfanylethyl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86884516
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95159960
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
CID 86832332
1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86826887
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 133210666
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 100692631

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide (CID 86826839) is 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide is CCCNC(=O)CNC(=O)NC(C)COc1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide?
The InChIKey is HQPLJXYGTPACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-3-8-17-14(20)9-18-15(21)19-11(2)10-22-13-6-4-12(16)5-7-13/h4-7,11H,3,8-10H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide?
2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide has a molecular weight of 311.36 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide is sourced from PubChem (CID 86826839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).