N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide

C23H38N2O3 — CID 19597062

IUPACN-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-24-22(27)23(28)25-19-12-13-20-14-16-21(26)17-15-20/h14-17,26H,2-13,18-19H2,1H3,(H,24,27)(H,25,28)
InChIKeyBLTCZTFRTLWYTM-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.48
Rot. Bonds15

About N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide

N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide (PubChem CID 19597062) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide.

Molecular Properties

Compound NameN-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
PubChem CID19597062
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC NameN-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
SMILESCCCCCCCCCCCCNC(=O)C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-24-22(27)23(28)25-19-12-13-20-14-16-21(26)17-15-20/h14-17,26H,2-13,18-19H2,1H3,(H,24,27)(H,25,28)
InChIKeyBLTCZTFRTLWYTM-UHFFFAOYSA-N
XLogP4.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide?
The IUPAC name of N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide (CID 19597062) is N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide.
What is the SMILES notation for N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide?
The canonical SMILES for N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide is CCCCCCCCCCCCNC(=O)C(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide?
The InChIKey is BLTCZTFRTLWYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-18-24-22(27)23(28)25-19-12-13-20-14-16-21(26)17-15-20/h14-17,26H,2-13,18-19H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide?
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide has a molecular weight of 390.57 g/mol, XLogP of 4.48, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide is sourced from PubChem (CID 19597062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).