2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide

C16H26N2O2 — CID 63639602

IUPAC2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1cc(C)ccc1C(C)NC
InChIInChI=1S/C16H26N2O2/c1-6-9-18-16(19)13(4)20-15-10-11(2)7-8-14(15)12(3)17-5/h7-8,10,12-13,17H,6,9H2,1-5H3,(H,18,19)
InChIKeyGGFUJCZVORBPFV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds7

About 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide

2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide (PubChem CID 63639602) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
PubChem CID63639602
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1cc(C)ccc1C(C)NC
InChIInChI=1S/C16H26N2O2/c1-6-9-18-16(19)13(4)20-15-10-11(2)7-8-14(15)12(3)17-5/h7-8,10,12-13,17H,6,9H2,1-5H3,(H,18,19)
InChIKeyGGFUJCZVORBPFV-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43505214
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide (CID 63639602) is 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1cc(C)ccc1C(C)NC.
What is the InChIKey of 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide?
The InChIKey is GGFUJCZVORBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-9-18-16(19)13(4)20-15-10-11(2)7-8-14(15)12(3)17-5/h7-8,10,12-13,17H,6,9H2,1-5H3,(H,18,19).
What are the key properties of 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide?
2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide is sourced from PubChem (CID 63639602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).