2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide

C17H28N2O2 — CID 43279211

IUPAC2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(C(C)NC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-6-7-12-19-17(20)14(3)21-16-10-8-15(9-11-16)13(2)18-4/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyJSDDIDIPMUGWBF-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds9

About 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide

2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide (PubChem CID 43279211) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
PubChem CID43279211
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(C(C)NC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-6-7-12-19-17(20)14(3)21-16-10-8-15(9-11-16)13(2)18-4/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyJSDDIDIPMUGWBF-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
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

N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279204
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
2-[4-[1-(methylamino)ethyl]phenoxy]-N-propan-2-ylpropanamide
CID 43279209
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide (CID 43279211) is 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1ccc(C(C)NC)cc1.
What is the InChIKey of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide?
The InChIKey is JSDDIDIPMUGWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-7-12-19-17(20)14(3)21-16-10-8-15(9-11-16)13(2)18-4/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide?
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide is sourced from PubChem (CID 43279211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).