1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea

C14H19N3O2 — CID 6902552

IUPAC1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cccc(O)c1)NC1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h4-5,8-10,12,18H,1-3,6-7H2,(H2,16,17,19)/b15-10+
InChIKeyUDHXMHHRNQDBDF-XNTDXEJSSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea

1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea (PubChem CID 6902552) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea
PubChem CID6902552
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1cccc(O)c1)NC1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h4-5,8-10,12,18H,1-3,6-7H2,(H2,16,17,19)/b15-10+
InChIKeyUDHXMHHRNQDBDF-XNTDXEJSSA-N
XLogP2.36
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea (CID 6902552) is 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1cccc(O)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea?
The InChIKey is UDHXMHHRNQDBDF-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h4-5,8-10,12,18H,1-3,6-7H2,(H2,16,17,19)/b15-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea?
1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea has a molecular weight of 261.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 6902552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).