2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide

C14H21FN2O3 — CID 60909218

IUPAC2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-10(2)17-14(19)8-16-7-12(18)9-20-13-5-3-11(15)4-6-13/h3-6,10,12,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyPOEYNXNQGSAHDQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.68
Rot. Bonds8

About 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide

2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide (PubChem CID 60909218) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
PubChem CID60909218
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-10(2)17-14(19)8-16-7-12(18)9-20-13-5-3-11(15)4-6-13/h3-6,10,12,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyPOEYNXNQGSAHDQ-UHFFFAOYSA-N
XLogP0.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111430757
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide (CID 60909218) is 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The InChIKey is POEYNXNQGSAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(2)17-14(19)8-16-7-12(18)9-20-13-5-3-11(15)4-6-13/h3-6,10,12,16,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide has a molecular weight of 284.33 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60909218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).