2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide

C14H22N2O3 — CID 82000489

IUPAC2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
SMILESCCC(Oc1cc(OC)ccc1C(C)NC)C(N)=O
InChIInChI=1S/C14H22N2O3/c1-5-12(14(15)17)19-13-8-10(18-4)6-7-11(13)9(2)16-3/h6-9,12,16H,5H2,1-4H3,(H2,15,17)
InChIKeyJZKKWAGPULKHAO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.62
Rot. Bonds7

About 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide

2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide (PubChem CID 82000489) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
PubChem CID82000489
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
SMILESCCC(Oc1cc(OC)ccc1C(C)NC)C(N)=O
InChIInChI=1S/C14H22N2O3/c1-5-12(14(15)17)19-13-8-10(18-4)6-7-11(13)9(2)16-3/h6-9,12,16H,5H2,1-4H3,(H2,15,17)
InChIKeyJZKKWAGPULKHAO-UHFFFAOYSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide
CID 78947140
2-[2-(1-aminoethyl)-5-methylphenoxy]butanamide
CID 63640445
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 175850225
ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
CID 83035515
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide?
The IUPAC name of 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide (CID 82000489) is 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide.
What is the SMILES notation for 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide?
The canonical SMILES for 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide is CCC(Oc1cc(OC)ccc1C(C)NC)C(N)=O.
What is the InChIKey of 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide?
The InChIKey is JZKKWAGPULKHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-12(14(15)17)19-13-8-10(18-4)6-7-11(13)9(2)16-3/h6-9,12,16H,5H2,1-4H3,(H2,15,17).
What are the key properties of 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide?
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide is sourced from PubChem (CID 82000489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).