4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide

C14H22N2O2 — CID 63890939

IUPAC4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
SMILESCCC(N)c1ccccc1OCCCC(=O)NC
InChIInChI=1S/C14H22N2O2/c1-3-12(15)11-7-4-5-8-13(11)18-10-6-9-14(17)16-2/h4-5,7-8,12H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyLNKLLCMSAQJOTL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds7

About 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide

4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide (PubChem CID 63890939) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
PubChem CID63890939
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
SMILESCCC(N)c1ccccc1OCCCC(=O)NC
InChIInChI=1S/C14H22N2O2/c1-3-12(15)11-7-4-5-8-13(11)18-10-6-9-14(17)16-2/h4-5,7-8,12H,3,6,9-10,15H2,1-2H3,(H,16,17)
InChIKeyLNKLLCMSAQJOTL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide
CID 63366244
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 78933161

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide (CID 63890939) is 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide is CCC(N)c1ccccc1OCCCC(=O)NC.
What is the InChIKey of 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide?
The InChIKey is LNKLLCMSAQJOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(15)11-7-4-5-8-13(11)18-10-6-9-14(17)16-2/h4-5,7-8,12H,3,6,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide?
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide is sourced from PubChem (CID 63890939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).