N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide

C17H27NO3 — CID 43504088

IUPACN-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(CCC(C)O)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-12-18-17(20)14(3)21-16-10-8-15(9-11-16)7-6-13(2)19/h8-11,13-14,19H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyGNNHECPAASRSBD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.68
Rot. Bonds9

About N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide

N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide (PubChem CID 43504088) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
PubChem CID43504088
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(CCC(C)O)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-12-18-17(20)14(3)21-16-10-8-15(9-11-16)7-6-13(2)19/h8-11,13-14,19H,4-7,12H2,1-3H3,(H,18,20)
InChIKeyGNNHECPAASRSBD-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
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504090
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
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
The IUPAC name of N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide (CID 43504088) is N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide.
What is the SMILES notation for N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
The canonical SMILES for N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide is CCCCNC(=O)C(C)Oc1ccc(CCC(C)O)cc1.
What is the InChIKey of N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
The InChIKey is GNNHECPAASRSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-12-18-17(20)14(3)21-16-10-8-15(9-11-16)7-6-13(2)19/h8-11,13-14,19H,4-7,12H2,1-3H3,(H,18,20).
What are the key properties of N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide 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 N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide is sourced from PubChem (CID 43504088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).