1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea

C20H26N4O4 — CID 71353515

IUPAC1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
SMILESO=C(NCCCCCCNC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1
InChIInChI=1S/C20H26N4O4/c25-17-9-5-7-15(13-17)23-19(27)21-11-3-1-2-4-12-22-20(28)24-16-8-6-10-18(26)14-16/h5-10,13-14,25-26H,1-4,11-12H2,(H2,21,23,27)(H2,22,24,28)
InChIKeyPMUFMUCKUABXFC-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.60
Rot. Bonds9

About 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea

1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea (PubChem CID 71353515) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
PubChem CID71353515
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
SMILESO=C(NCCCCCCNC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1
InChIInChI=1S/C20H26N4O4/c25-17-9-5-7-15(13-17)23-19(27)21-11-3-1-2-4-12-22-20(28)24-16-8-6-10-18(26)14-16/h5-10,13-14,25-26H,1-4,11-12H2,(H2,21,23,27)(H2,22,24,28)
InChIKeyPMUFMUCKUABXFC-UHFFFAOYSA-N
XLogP3.60
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 53.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea 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

1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
CID 108894947
2-amino-N-[4-[(3-hydroxyphenyl)carbamoylamino]butyl]-2,2-diphenylacetamide
CID 145460884
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
methyl 2-[(3-hydroxyphenyl)carbamoylamino]acetate
CID 108895907
3-(pentylcarbamoylamino)benzamide
CID 47033052
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea (CID 71353515) is 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea is O=C(NCCCCCCNC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea?
The InChIKey is PMUFMUCKUABXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-17-9-5-7-15(13-17)23-19(27)21-11-3-1-2-4-12-22-20(28)24-16-8-6-10-18(26)14-16/h5-10,13-14,25-26H,1-4,11-12H2,(H2,21,23,27)(H2,22,24,28).
What are the key properties of 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea?
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea has a molecular weight of 386.45 g/mol, XLogP of 3.60, 9 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea is sourced from PubChem (CID 71353515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).