N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide

C16H16N4O3 — CID 135415566

IUPACN-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H16N4O3/c1-11(21)18-13-6-8-14(9-7-13)19-16(23)20-17-10-12-4-2-3-5-15(12)22/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+
InChIKeyLSPZHYIIYBQRJU-LICLKQGHSA-N
MW312.33 g/mol
LogP2.51
Rot. Bonds4

About N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide

N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide (PubChem CID 135415566) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide
PubChem CID135415566
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H16N4O3/c1-11(21)18-13-6-8-14(9-7-13)19-16(23)20-17-10-12-4-2-3-5-15(12)22/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+
InChIKeyLSPZHYIIYBQRJU-LICLKQGHSA-N
XLogP2.51
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide (CID 135415566) is N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide?
The InChIKey is LSPZHYIIYBQRJU-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11(21)18-13-6-8-14(9-7-13)19-16(23)20-17-10-12-4-2-3-5-15(12)22/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+.
What are the key properties of N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide?
N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 135415566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).