11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide

C32H49N3O4 — CID 70020028

IUPAC11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide
SMILESCCCCCCCC(CCCCCCCCCC(=O)NC)NC(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C32H49N3O4/c1-3-4-5-9-12-15-26(16-13-10-7-6-8-11-14-17-31(37)33-2)34-32(38)35-27-18-22-29(23-19-27)39-30-24-20-28(36)21-25-30/h18-26,36H,3-17H2,1-2H3,(H,33,37)(H2,34,35,38)
InChIKeyOFHUMWBZXJYPCV-UHFFFAOYSA-N
MW539.76 g/mol
LogP8.29
Rot. Bonds20

About 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide

11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide (PubChem CID 70020028) has the molecular formula C32H49N3O4 and a molecular weight of 539.76 g/mol. Its IUPAC name is 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide.

Molecular Properties

Compound Name11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide
PubChem CID70020028
Molecular FormulaC32H49N3O4
Molecular Weight539.76 g/mol
Exact Mass539.37
IUPAC Name11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide
SMILESCCCCCCCC(CCCCCCCCCC(=O)NC)NC(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C32H49N3O4/c1-3-4-5-9-12-15-26(16-13-10-7-6-8-11-14-17-31(37)33-2)34-32(38)35-27-18-22-29(23-19-27)39-30-24-20-28(36)21-25-30/h18-26,36H,3-17H2,1-2H3,(H,33,37)(H2,34,35,38)
InChIKeyOFHUMWBZXJYPCV-UHFFFAOYSA-N
XLogP8.29
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.76
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-[2-[4-(4-hydroxyphenoxy)phenoxy]ethylcarbamoylamino]-N-methyloctadecanamide
CID 70019817
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
1-(4-hydroxyphenyl)-3-octatriacontan-2-ylurea
CID 70999279
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N'-[4-(4-hydroxyphenoxy)phenyl]-N-(2-octadecan-2-yloxyethyl)propanediamide
CID 21260071
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
CID 18183865
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]tetradecylcarbamic acid
CID 18184028
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]decanamide
CID 42703808

Frequently Asked Questions

What is the IUPAC name of 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide?
The IUPAC name of 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide (CID 70020028) is 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide.
What is the SMILES notation for 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide?
The canonical SMILES for 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide is CCCCCCCC(CCCCCCCCCC(=O)NC)NC(=O)Nc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide?
The InChIKey is OFHUMWBZXJYPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N3O4/c1-3-4-5-9-12-15-26(16-13-10-7-6-8-11-14-17-31(37)33-2)34-32(38)35-27-18-22-29(23-19-27)39-30-24-20-28(36)21-25-30/h18-26,36H,3-17H2,1-2H3,(H,33,37)(H2,34,35,38).
What are the key properties of 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide?
11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide has a molecular weight of 539.76 g/mol, XLogP of 8.29, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide is sourced from PubChem (CID 70020028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).