1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea

C15H23N3O2 — CID 63869416

IUPAC1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
SMILESNC1CCC(OCCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c16-12-6-8-14(9-7-12)20-11-10-17-15(19)18-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H2,17,18,19)
InChIKeyCJUGLNZPCSXUMG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea

1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea (PubChem CID 63869416) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
PubChem CID63869416
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
SMILESNC1CCC(OCCNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c16-12-6-8-14(9-7-12)20-11-10-17-15(19)18-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H2,17,18,19)
InChIKeyCJUGLNZPCSXUMG-UHFFFAOYSA-N
XLogP2.09
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea
CID 63869255
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
1-(4-methoxyphenyl)-3-(2-piperidin-4-yloxyethyl)urea
CID 63871420
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148439
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63833702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea?
The IUPAC name of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea (CID 63869416) is 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea is NC1CCC(OCCNC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea?
The InChIKey is CJUGLNZPCSXUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-12-6-8-14(9-7-12)20-11-10-17-15(19)18-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H2,17,18,19).
What are the key properties of 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea?
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea has a molecular weight of 277.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea is sourced from PubChem (CID 63869416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).