3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide

C14H22N2O2 — CID 62325770

IUPAC3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cccc(OCCC(=O)NC)c1
InChIInChI=1S/C14H22N2O2/c1-3-12(15)9-11-5-4-6-13(10-11)18-8-7-14(17)16-2/h4-6,10,12H,3,7-9,15H2,1-2H3,(H,16,17)
InChIKeyRRADGOXLFVJNAF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds7

About 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide

3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide (PubChem CID 62325770) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
PubChem CID62325770
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cccc(OCCC(=O)NC)c1
InChIInChI=1S/C14H22N2O2/c1-3-12(15)9-11-5-4-6-13(10-11)18-8-7-14(17)16-2/h4-6,10,12H,3,7-9,15H2,1-2H3,(H,16,17)
InChIKeyRRADGOXLFVJNAF-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907872
methyl 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoate
CID 79620949
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79621115

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide (CID 62325770) is 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide is CCC(N)Cc1cccc(OCCC(=O)NC)c1.
What is the InChIKey of 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide?
The InChIKey is RRADGOXLFVJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(15)9-11-5-4-6-13(10-11)18-8-7-14(17)16-2/h4-6,10,12H,3,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide?
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62325770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).