1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea

C18H15N3O2 — CID 135858114

IUPAC1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea
SMILESO=C(N/N=C/c1ccc(O)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H15N3O2/c22-15-10-8-13(9-11-15)12-19-21-18(23)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12,22H,(H2,20,21,23)/b19-12+
InChIKeyYCXKBXRMFXLGDC-XDHOZWIPSA-N
MW305.34 g/mol
LogP3.70
Rot. Bonds3

About 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea

1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea (PubChem CID 135858114) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea
PubChem CID135858114
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea
SMILESO=C(N/N=C/c1ccc(O)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H15N3O2/c22-15-10-8-13(9-11-15)12-19-21-18(23)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12,22H,(H2,20,21,23)/b19-12+
InChIKeyYCXKBXRMFXLGDC-XDHOZWIPSA-N
XLogP3.70
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea (CID 135858114) is 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea is O=C(N/N=C/c1ccc(O)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea?
The InChIKey is YCXKBXRMFXLGDC-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-15-10-8-13(9-11-15)12-19-21-18(23)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12,22H,(H2,20,21,23)/b19-12+.
What are the key properties of 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea?
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea has a molecular weight of 305.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 135858114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).