2-[2-[1-(methylamino)ethyl]phenoxy]butanamide

C13H20N2O2 — CID 55131608

IUPAC2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
SMILESCCC(Oc1ccccc1C(C)NC)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-11(13(14)16)17-12-8-6-5-7-10(12)9(2)15-3/h5-9,11,15H,4H2,1-3H3,(H2,14,16)
InChIKeyAKUNPXLRWXDZIG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide

2-[2-[1-(methylamino)ethyl]phenoxy]butanamide (PubChem CID 55131608) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
PubChem CID55131608
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
SMILESCCC(Oc1ccccc1C(C)NC)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-11(13(14)16)17-12-8-6-5-7-10(12)9(2)15-3/h5-9,11,15H,4H2,1-3H3,(H2,14,16)
InChIKeyAKUNPXLRWXDZIG-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826
2-(2-formylphenoxy)butanamide
CID 62900622
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43279519
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
CID 55132194
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 114319688
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide?
The IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide (CID 55131608) is 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide.
What is the SMILES notation for 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide?
The canonical SMILES for 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide is CCC(Oc1ccccc1C(C)NC)C(N)=O.
What is the InChIKey of 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide?
The InChIKey is AKUNPXLRWXDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11(13(14)16)17-12-8-6-5-7-10(12)9(2)15-3/h5-9,11,15H,4H2,1-3H3,(H2,14,16).
What are the key properties of 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide?
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methylamino)ethyl]phenoxy]butanamide is sourced from PubChem (CID 55131608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).