1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

C18H23N3O2 — CID 135515663

IUPAC1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O2/c22-16-4-2-1-3-15(16)11-19-21-17(23)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,22H,5-10H2,(H2,20,21,23)/b19-11+
InChIKeyYWZOQMLBHONNMH-YBFXNURJSA-N
MW313.40 g/mol
LogP2.99
Rot. Bonds3

About 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea

1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (PubChem CID 135515663) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
PubChem CID135515663
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23N3O2/c22-16-4-2-1-3-15(16)11-19-21-17(23)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,22H,5-10H2,(H2,20,21,23)/b19-11+
InChIKeyYWZOQMLBHONNMH-YBFXNURJSA-N
XLogP2.99
TPSA73.72 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 ≤ 52.99
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

1-(1-adamantyl)-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135656272
2-methoxybenzaldehyde N-1-adamantylsemicarbazone
CID 9699802
(2E)-2-(3,4-dihydroxybenzylidene)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
CID 135457587
2-hydroxy-3-methoxybenzaldehyde N-(1-adamantyl)semicarbazone
CID 135533734
N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azavinyl](adamantanylamino)carboxamide
CID 135549795
3,5-dichloro-2-hydroxybenzaldehyde N-1-adamantylsemicarbazone
CID 135492235
1-(Adamantan-1-YL)-3-[(E)-[(2-hydroxynaphthalen-1-YL)methylidene]amino]urea
CID 135541784
1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135478760
1-(1-adamantyl)-3-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136851183
1-(1-adamantyl)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]urea
CID 137251420
1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135615600
1-(1-Adamantyl)-3-[[4-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 4263664

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea (CID 135515663) is 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C/c1ccccc1O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is YWZOQMLBHONNMH-YBFXNURJSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16-4-2-1-3-15(16)11-19-21-17(23)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,22H,5-10H2,(H2,20,21,23)/b19-11+.
What are the key properties of 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea?
1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 313.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135515663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).