N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide

C15H21FN2O3 — CID 79377805

IUPACN-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESO=C(CCNCC(O)COc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C15H21FN2O3/c16-11-1-5-14(6-2-11)21-10-13(19)9-17-8-7-15(20)18-12-3-4-12/h1-2,5-6,12-13,17,19H,3-4,7-10H2,(H,18,20)
InChIKeyWBAUSHCTQSZDER-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.82
Rot. Bonds9

About N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide

N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 79377805) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID79377805
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESO=C(CCNCC(O)COc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C15H21FN2O3/c16-11-1-5-14(6-2-11)21-10-13(19)9-17-8-7-15(20)18-12-3-4-12/h1-2,5-6,12-13,17,19H,3-4,7-10H2,(H,18,20)
InChIKeyWBAUSHCTQSZDER-UHFFFAOYSA-N
XLogP0.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60909778
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166000
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide (CID 79377805) is N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide is O=C(CCNCC(O)COc1ccc(F)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is WBAUSHCTQSZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-11-1-5-14(6-2-11)21-10-13(19)9-17-8-7-15(20)18-12-3-4-12/h1-2,5-6,12-13,17,19H,3-4,7-10H2,(H,18,20).
What are the key properties of N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide?
N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 296.34 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 79377805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).