2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide

C14H22N2O2 — CID 43311938

IUPAC2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
SMILESCCC(NC)c1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(16-3)11-5-7-12(8-6-11)18-9-10(2)14(15)17/h5-8,10,13,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyMMZDUYWOAWQGSB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds7

About 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide

2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide (PubChem CID 43311938) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
PubChem CID43311938
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
SMILESCCC(NC)c1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-4-13(16-3)11-5-7-12(8-6-11)18-9-10(2)14(15)17/h5-8,10,13,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyMMZDUYWOAWQGSB-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 60887226
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide?
The IUPAC name of 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide (CID 43311938) is 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide.
What is the SMILES notation for 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide?
The canonical SMILES for 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide is CCC(NC)c1ccc(OCC(C)C(N)=O)cc1.
What is the InChIKey of 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide?
The InChIKey is MMZDUYWOAWQGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(16-3)11-5-7-12(8-6-11)18-9-10(2)14(15)17/h5-8,10,13,16H,4,9H2,1-3H3,(H2,15,17).
What are the key properties of 2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide?
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 7 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-(methylamino)propyl]phenoxy]propanamide is sourced from PubChem (CID 43311938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).