1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea

C21H25N3O3 — CID 1294961

IUPAC1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)NC1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-20(23-24-21(26)22-18-9-5-2-6-10-18)15-27-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,23,25)(H2,22,24,26)
InChIKeyPXOTXMOWDUVBTN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.40
Rot. Bonds5

About 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea

1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea (PubChem CID 1294961) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
PubChem CID1294961
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)NC1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-20(23-24-21(26)22-18-9-5-2-6-10-18)15-27-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,23,25)(H2,22,24,26)
InChIKeyPXOTXMOWDUVBTN-UHFFFAOYSA-N
XLogP3.40
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 54786447
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927767
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea?
The IUPAC name of 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea (CID 1294961) is 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea is O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea?
The InChIKey is PXOTXMOWDUVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(23-24-21(26)22-18-9-5-2-6-10-18)15-27-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,23,25)(H2,22,24,26).
What are the key properties of 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea?
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea has a molecular weight of 367.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea is sourced from PubChem (CID 1294961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).