2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide

C15H24N2O2 — CID 43311925

IUPAC2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
SMILESCCCNC(C)c1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-9-17-12(3)13-5-7-14(8-6-13)19-10-11(2)15(16)18/h5-8,11-12,17H,4,9-10H2,1-3H3,(H2,16,18)
InChIKeyBZYAZKQCYPIUFS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds8

About 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide

2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide (PubChem CID 43311925) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
PubChem CID43311925
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
SMILESCCCNC(C)c1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-9-17-12(3)13-5-7-14(8-6-13)19-10-11(2)15(16)18/h5-8,11-12,17H,4,9-10H2,1-3H3,(H2,16,18)
InChIKeyBZYAZKQCYPIUFS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
CID 43311938
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
CID 115902066
methyl 4-[(1S)-1-(propylamino)ethyl]benzoate
CID 142387004
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62698763
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide?
The IUPAC name of 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide (CID 43311925) is 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide is CCCNC(C)c1ccc(OCC(C)C(N)=O)cc1.
What is the InChIKey of 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide?
The InChIKey is BZYAZKQCYPIUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-9-17-12(3)13-5-7-14(8-6-13)19-10-11(2)15(16)18/h5-8,11-12,17H,4,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide?
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 43311925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).