2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide

C16H24N2O2 — CID 60889157

IUPAC2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(C(CC)NC)cc1
InChIInChI=1S/C16H24N2O2/c1-5-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(6-2)17-4/h5,7-10,12,15,17H,1,6,11H2,2-4H3,(H,18,19)
InChIKeySPJOZLPPCVTTNE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds8

About 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide

2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide (PubChem CID 60889157) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
PubChem CID60889157
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(C(CC)NC)cc1
InChIInChI=1S/C16H24N2O2/c1-5-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(6-2)17-4/h5,7-10,12,15,17H,1,6,11H2,2-4H3,(H,18,19)
InChIKeySPJOZLPPCVTTNE-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60889158
2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
CID 107716763
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
3-[5-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxy-2-pyridinyl]prop-2-enoic acid
CID 79800685
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide (CID 60889157) is 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(C(CC)NC)cc1.
What is the InChIKey of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is SPJOZLPPCVTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(6-2)17-4/h5,7-10,12,15,17H,1,6,11H2,2-4H3,(H,18,19).
What are the key properties of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide?
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 60889157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).