2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide

C16H26N2O2 — CID 43278248

IUPAC2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cccc(CNC)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-6-10-18-16(19)13(2)20-15-9-7-8-14(11-15)12-17-3/h7-9,11,13,17H,4-6,10,12H2,1-3H3,(H,18,19)
InChIKeySVYVONMZZRNWFL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds9

About 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide

2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide (PubChem CID 43278248) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
PubChem CID43278248
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cccc(CNC)c1
InChIInChI=1S/C16H26N2O2/c1-4-5-6-10-18-16(19)13(2)20-15-9-7-8-14(11-15)12-17-3/h7-9,11,13,17H,4-6,10,12H2,1-3H3,(H,18,19)
InChIKeySVYVONMZZRNWFL-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
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

2-[3-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 61398251
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190064
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
2-methyl-1-pentyl-3-[(3-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111128890
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide (CID 43278248) is 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1cccc(CNC)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide?
The InChIKey is SVYVONMZZRNWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-6-10-18-16(19)13(2)20-15-9-7-8-14(11-15)12-17-3/h7-9,11,13,17H,4-6,10,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide?
2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide is sourced from PubChem (CID 43278248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).