3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide

C28H50N2O4 — CID 18183865

IUPAC3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CNC(=O)CCOc1ccc(O)cc1
InChIInChI=1S/C18H37NO.C10H13NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-11-10(13)6-7-14-9-4-2-8(12)3-5-9/h2-17H2,1H3,(H2,19,20);2-5,12H,6-7H2,1H3,(H,11,13)
InChIKeyDVMNWJPZTLISIU-UHFFFAOYSA-N
MW478.72 g/mol
LogP6.64
Rot. Bonds20

About 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide

3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide (PubChem CID 18183865) has the molecular formula C28H50N2O4 and a molecular weight of 478.72 g/mol. Its IUPAC name is 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
PubChem CID18183865
Molecular FormulaC28H50N2O4
Molecular Weight478.72 g/mol
Exact Mass478.38
IUPAC Name3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CNC(=O)CCOc1ccc(O)cc1
InChIInChI=1S/C18H37NO.C10H13NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-11-10(13)6-7-14-9-4-2-8(12)3-5-9/h2-17H2,1H3,(H2,19,20);2-5,12H,6-7H2,1H3,(H,11,13)
InChIKeyDVMNWJPZTLISIU-UHFFFAOYSA-N
XLogP6.64
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxyphenol
CID 22179059
N-[[carbamoyl(octadecyl)amino]methyl]-3-[4-(4-hydroxyphenoxy)phenoxy]propanamide
CID 70019822
3-[4-(4-hydroxyphenoxy)phenoxy]-N-(octadecylcarbamoyl)propanamide
CID 18183886
11-[2-[4-(4-hydroxyphenoxy)phenoxy]ethylcarbamoylamino]-N-methyloctadecanamide
CID 70019817
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
1-[3-[4-(4-hydroxyphenoxy)phenoxy]propanoylamino]-3-octadecylurea
CID 18183906
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
octadecyl N-[2-(4-hydroxyphenoxy)ethyl]carbamate
CID 18183900
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
4-(4-tetradecoxyanilino)phenol
CID 174780996

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide?
The IUPAC name of 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide (CID 18183865) is 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide.
What is the SMILES notation for 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide?
The canonical SMILES for 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide is CCCCCCCCCCCCCCCCCC(N)=O.CNC(=O)CCOc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide?
The InChIKey is DVMNWJPZTLISIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C10H13NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-11-10(13)6-7-14-9-4-2-8(12)3-5-9/h2-17H2,1H3,(H2,19,20);2-5,12H,6-7H2,1H3,(H,11,13).
What are the key properties of 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide?
3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide has a molecular weight of 478.72 g/mol, XLogP of 6.64, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide is sourced from PubChem (CID 18183865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).