3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide

C15H24N2O2 — CID 63639953

IUPAC3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
SMILESCCCNC(C)c1ccc(C)cc1OCCC(N)=O
InChIInChI=1S/C15H24N2O2/c1-4-8-17-12(3)13-6-5-11(2)10-14(13)19-9-7-15(16)18/h5-6,10,12,17H,4,7-9H2,1-3H3,(H2,16,18)
InChIKeySDQYVUWBAIKPKX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.31
Rot. Bonds8

About 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide

3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide (PubChem CID 63639953) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
PubChem CID63639953
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
SMILESCCCNC(C)c1ccc(C)cc1OCCC(N)=O
InChIInChI=1S/C15H24N2O2/c1-4-8-17-12(3)13-6-5-11(2)10-14(13)19-9-7-15(16)18/h5-6,10,12,17H,4,7-9H2,1-3H3,(H2,16,18)
InChIKeySDQYVUWBAIKPKX-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
N-[1-[4-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64554154
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
CID 63641331
5-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]pentanenitrile
CID 63640292
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640138
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
N-[1-[4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63640130

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
The IUPAC name of 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide (CID 63639953) is 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide is CCCNC(C)c1ccc(C)cc1OCCC(N)=O.
What is the InChIKey of 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
The InChIKey is SDQYVUWBAIKPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-8-17-12(3)13-6-5-11(2)10-14(13)19-9-7-15(16)18/h5-6,10,12,17H,4,7-9H2,1-3H3,(H2,16,18).
What are the key properties of 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide?
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 63639953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).