N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide

C33H51N3O4 — CID 70017748

IUPACN-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide
SMILESCCCCCCCCCCCCCCCCCCN(CNC(=O)c1ccc(Oc2ccc(O)cc2)cc1)C(N)=O
InChIInChI=1S/C33H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36(33(34)39)27-35-32(38)28-18-22-30(23-19-28)40-31-24-20-29(37)21-25-31/h18-25,37H,2-17,26-27H2,1H3,(H2,34,39)(H,35,38)
InChIKeyUYJORHLLFRROMH-UHFFFAOYSA-N
MW553.79 g/mol
LogP8.51
Rot. Bonds22

About N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide

N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide (PubChem CID 70017748) has the molecular formula C33H51N3O4 and a molecular weight of 553.79 g/mol. Its IUPAC name is N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide.

Molecular Properties

Compound NameN-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide
PubChem CID70017748
Molecular FormulaC33H51N3O4
Molecular Weight553.79 g/mol
Exact Mass553.39
IUPAC NameN-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide
SMILESCCCCCCCCCCCCCCCCCCN(CNC(=O)c1ccc(Oc2ccc(O)cc2)cc1)C(N)=O
InChIInChI=1S/C33H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36(33(34)39)27-35-32(38)28-18-22-30(23-19-28)40-31-24-20-29(37)21-25-31/h18-25,37H,2-17,26-27H2,1H3,(H2,34,39)(H,35,38)
InChIKeyUYJORHLLFRROMH-UHFFFAOYSA-N
XLogP8.51
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.79
LogP ≤ 58.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide 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-[[carbamoyl(octadecyl)amino]methyl]-3-[4-(4-hydroxyphenoxy)phenoxy]propanamide
CID 70019822
N-[[carbamoyl(octadecyl)amino]methyl]-2-(4-hydroxyphenyl)sulfanylacetamide
CID 67644596
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
1-docosyl-1-[3-(4-hydroxyphenyl)propyl]urea
CID 70039834
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
N-decyl-4-hydroxybenzamide
CID 15277871
N-[(dihexylamino)methyl]-4-[4-[(dihexylamino)methylcarbamoyl]phenyl]benzamide
CID 139954652
N-[(dipentylamino)methyl]-4-[4-[(dipentylamino)methylcarbamoyl]phenyl]benzamide
CID 139955623
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
4-(4-dodecylphenoxy)phenol
CID 134258509
4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide
CID 19594231
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904

Frequently Asked Questions

What is the IUPAC name of N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide?
The IUPAC name of N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide (CID 70017748) is N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide.
What is the SMILES notation for N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide?
The canonical SMILES for N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide is CCCCCCCCCCCCCCCCCCN(CNC(=O)c1ccc(Oc2ccc(O)cc2)cc1)C(N)=O.
What is the InChIKey of N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide?
The InChIKey is UYJORHLLFRROMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-36(33(34)39)27-35-32(38)28-18-22-30(23-19-28)40-31-24-20-29(37)21-25-31/h18-25,37H,2-17,26-27H2,1H3,(H2,34,39)(H,35,38).
What are the key properties of N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide?
N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide has a molecular weight of 553.79 g/mol, XLogP of 8.51, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide is sourced from PubChem (CID 70017748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).