N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide

C16H25NO3 — CID 115495782

IUPACN-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-4-5-10-17-16(19)13(3)20-15-8-6-14(7-9-15)11-12(2)18/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyJSUACURJVOTZFM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.29
Rot. Bonds8

About N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide

N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide (PubChem CID 115495782) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
PubChem CID115495782
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(CC(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-4-5-10-17-16(19)13(3)20-15-8-6-14(7-9-15)11-12(2)18/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyJSUACURJVOTZFM-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.29
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-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-butyl-2-(4-carbamothioylphenoxy)propanamide
CID 43116867
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide?
The IUPAC name of N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide (CID 115495782) is N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide.
What is the SMILES notation for N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide?
The canonical SMILES for N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide is CCCCNC(=O)C(C)Oc1ccc(CC(C)O)cc1.
What is the InChIKey of N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide?
The InChIKey is JSUACURJVOTZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-10-17-16(19)13(3)20-15-8-6-14(7-9-15)11-12(2)18/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide?
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide is sourced from PubChem (CID 115495782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).