2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide

C16H26N2O3 — CID 60906628

IUPAC2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(CC(C)N)cc1
InChIInChI=1S/C16H26N2O3/c1-12(17)11-14-5-7-15(8-6-14)21-13(2)16(19)18-9-4-10-20-3/h5-8,12-13H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyWSSQKCXKNJDDOQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.50
Rot. Bonds9

About 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide

2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 60906628) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID60906628
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(CC(C)N)cc1
InChIInChI=1S/C16H26N2O3/c1-12(17)11-14-5-7-15(8-6-14)21-13(2)16(19)18-9-4-10-20-3/h5-8,12-13H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyWSSQKCXKNJDDOQ-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279204
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide (CID 60906628) is 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1ccc(CC(C)N)cc1.
What is the InChIKey of 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is WSSQKCXKNJDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(17)11-14-5-7-15(8-6-14)21-13(2)16(19)18-9-4-10-20-3/h5-8,12-13H,4,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60906628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).