2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide

C14H22N2O2 — CID 54930628

IUPAC2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1cccc(CCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)9-16-14(17)10-18-13-5-3-4-12(8-13)6-7-15/h3-5,8,11H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyILOFCDWFFFRANB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide

2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 54930628) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID54930628
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1cccc(CCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)9-16-14(17)10-18-13-5-3-4-12(8-13)6-7-15/h3-5,8,11H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyILOFCDWFFFRANB-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 54930853
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide (CID 54930628) is 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1cccc(CCN)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is ILOFCDWFFFRANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)9-16-14(17)10-18-13-5-3-4-12(8-13)6-7-15/h3-5,8,11H,6-7,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide?
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 54930628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).