(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide

C23H22N4O2 — CID 142189425

IUPAC(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide
SMILES[H]/N=C(C(=O)Nc1ccccc1)/C(=N\Nc1ccccc1)C(C)c1ccc(O)cc1
InChIInChI=1S/C23H22N4O2/c1-16(17-12-14-20(28)15-13-17)22(27-26-19-10-6-3-7-11-19)21(24)23(29)25-18-8-4-2-5-9-18/h2-16,24,26,28H,1H3,(H,25,29)/b24-21-,27-22-
InChIKeyQXWDIBVHLXZFHN-CSOCYQCVSA-N
MW386.45 g/mol
LogP4.62
Rot. Bonds7

About (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide

(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide (PubChem CID 142189425) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide.

Molecular Properties

Compound Name(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide
PubChem CID142189425
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Name(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide
SMILES[H]/N=C(C(=O)Nc1ccccc1)/C(=N\Nc1ccccc1)C(C)c1ccc(O)cc1
InChIInChI=1S/C23H22N4O2/c1-16(17-12-14-20(28)15-13-17)22(27-26-19-10-6-3-7-11-19)21(24)23(29)25-18-8-4-2-5-9-18/h2-16,24,26,28H,1H3,(H,25,29)/b24-21-,27-22-
InChIKeyQXWDIBVHLXZFHN-CSOCYQCVSA-N
XLogP4.62
TPSA97.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide?
The IUPAC name of (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide (CID 142189425) is (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide.
What is the SMILES notation for (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide?
The canonical SMILES for (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide is [H]/N=C(C(=O)Nc1ccccc1)/C(=N\Nc1ccccc1)C(C)c1ccc(O)cc1.
What is the InChIKey of (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide?
The InChIKey is QXWDIBVHLXZFHN-CSOCYQCVSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16(17-12-14-20(28)15-13-17)22(27-26-19-10-6-3-7-11-19)21(24)23(29)25-18-8-4-2-5-9-18/h2-16,24,26,28H,1H3,(H,25,29)/b24-21-,27-22-.
What are the key properties of (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide?
(3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide has a molecular weight of 386.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(4-hydroxyphenyl)-2-imino-N-phenyl-3-(phenylhydrazinylidene)pentanamide is sourced from PubChem (CID 142189425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).