2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide

C17H27NO3 — CID 115495866

IUPAC2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-6-11-18-17(20)14(3)21-16-9-7-15(8-10-16)12-13(2)19/h7-10,13-14,19H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyYXLWBROEWQOFGP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.68
Rot. Bonds9

About 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide

2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide (PubChem CID 115495866) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
PubChem CID115495866
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-6-11-18-17(20)14(3)21-16-9-7-15(8-10-16)12-13(2)19/h7-10,13-14,19H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyYXLWBROEWQOFGP-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.68
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-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 22951626
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide (CID 115495866) is 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1ccc(CC(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide?
The InChIKey is YXLWBROEWQOFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-6-11-18-17(20)14(3)21-16-9-7-15(8-10-16)12-13(2)19/h7-10,13-14,19H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide?
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide is sourced from PubChem (CID 115495866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).