2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide

C18H27FN2O3 — CID 111430757

IUPAC2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
SMILESCC(C(=O)NCC(O)COc1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C18H27FN2O3/c1-14(21-10-4-2-3-5-11-21)18(23)20-12-16(22)13-24-17-8-6-15(19)7-9-17/h6-9,14,16,22H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyHSONEULQNDQCNP-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.95
Rot. Bonds7

About 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide

2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide (PubChem CID 111430757) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
PubChem CID111430757
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
SMILESCC(C(=O)NCC(O)COc1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C18H27FN2O3/c1-14(21-10-4-2-3-5-11-21)18(23)20-12-16(22)13-24-17-8-6-15(19)7-9-17/h6-9,14,16,22H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyHSONEULQNDQCNP-UHFFFAOYSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
CID 97236810
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
(Z)-3-cyclopropyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]but-2-enamide
CID 110912797
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide (CID 111430757) is 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide is CC(C(=O)NCC(O)COc1ccc(F)cc1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
The InChIKey is HSONEULQNDQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-14(21-10-4-2-3-5-11-21)18(23)20-12-16(22)13-24-17-8-6-15(19)7-9-17/h6-9,14,16,22H,2-5,10-13H2,1H3,(H,20,23).
What are the key properties of 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide has a molecular weight of 338.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 111430757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).