N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C23H21N3O3 — CID 6887729

IUPACN-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(O)c1
InChIInChI=1S/C23H21N3O3/c27-20-13-7-8-17(14-20)15-25-26-21(28)16-24-23(29)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,22,27H,16H2,(H,24,29)(H,26,28)/b25-15+
InChIKeyBMDNUNGSIXGMNR-MFKUBSTISA-N
MW387.44 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 6887729) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID6887729
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(O)c1
InChIInChI=1S/C23H21N3O3/c27-20-13-7-8-17(14-20)15-25-26-21(28)16-24-23(29)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,22,27H,16H2,(H,24,29)(H,26,28)/b25-15+
InChIKeyBMDNUNGSIXGMNR-MFKUBSTISA-N
XLogP2.79
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 6887729) is N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(O)c1.
What is the InChIKey of N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is BMDNUNGSIXGMNR-MFKUBSTISA-N. The full InChI is InChI=1S/C23H21N3O3/c27-20-13-7-8-17(14-20)15-25-26-21(28)16-24-23(29)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,22,27H,16H2,(H,24,29)(H,26,28)/b25-15+.
What are the key properties of N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 387.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 6887729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).