[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea

C18H23N3O2 — CID 137026944

IUPAC[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O
InChIInChI=1S/C18H23N3O2/c19-17(23)21-20-10-14-6-15(1-2-16(14)22)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13,22H,3-5,7-9H2,(H3,19,21,23)/b20-10-
InChIKeyDWRZGKPKOLUPHV-JMIUGGIZSA-N
MW313.40 g/mol
LogP2.86
Rot. Bonds3

About [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea

[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea (PubChem CID 137026944) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
PubChem CID137026944
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O
InChIInChI=1S/C18H23N3O2/c19-17(23)21-20-10-14-6-15(1-2-16(14)22)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13,22H,3-5,7-9H2,(H3,19,21,23)/b20-10-
InChIKeyDWRZGKPKOLUPHV-JMIUGGIZSA-N
XLogP2.86
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea
CID 168533127
4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 137026893
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
4-(1-adamantyl)-2-[[(2-fluorophenyl)hydrazinylidene]methyl]phenol
CID 175824509
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
3-[[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]-4-chlorobenzoic acid
CID 137085696
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
4-(1-adamantyl)-2-aminophenol
CID 66922251
[[3-(1-adamantyl)-4-hydroxy-5-methoxyphenyl]methylideneamino]urea
CID 168533163
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
CID 136506570
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
CID 135698985

Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea (CID 137026944) is [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea is NC(=O)N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O.
What is the InChIKey of [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea?
The InChIKey is DWRZGKPKOLUPHV-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-17(23)21-20-10-14-6-15(1-2-16(14)22)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13,22H,3-5,7-9H2,(H3,19,21,23)/b20-10-.
What are the key properties of [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea?
[(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea has a molecular weight of 313.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[5-(1-adamantyl)-2-hydroxyphenyl]methylideneamino]urea is sourced from PubChem (CID 137026944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).