[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea

C15H21N3O2 — CID 168532047

IUPAC[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-15(19)18-17-10-12-5-4-6-13(9-12)11-20-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11H2,(H3,16,18,19)
InChIKeyWDESZJIQWLKMFU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds5

About [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea

[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea (PubChem CID 168532047) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
PubChem CID168532047
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-15(19)18-17-10-12-5-4-6-13(9-12)11-20-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11H2,(H3,16,18,19)
InChIKeyWDESZJIQWLKMFU-UHFFFAOYSA-N
XLogP2.54
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
CID 168532079
[[3-(propan-2-yloxymethyl)phenyl]methylideneamino]urea
CID 168532038
[[3-(butoxymethyl)phenyl]methylideneamino]urea
CID 168532062
[[4-(cyclohexyloxymethyl)phenyl]methylideneamino]thiourea
CID 168534487
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
CID 168532138
(1R,6S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5406214
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532117
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894

Frequently Asked Questions

What is the IUPAC name of [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea?
The IUPAC name of [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea (CID 168532047) is [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea?
The canonical SMILES for [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea is NC(=O)NN=Cc1cccc(COC2CCCCC2)c1.
What is the InChIKey of [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea?
The InChIKey is WDESZJIQWLKMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(19)18-17-10-12-5-4-6-13(9-12)11-20-14-7-2-1-3-8-14/h4-6,9-10,14H,1-3,7-8,11H2,(H3,16,18,19).
What are the key properties of [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea?
[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea has a molecular weight of 275.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168532047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).