(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide

C17H20N6O2 — CID 166920751

IUPAC(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESN/N=C(\NN)c1ccc(CNc2ccccc2/C=C/C(=O)NO)cc1
InChIInChI=1S/C17H20N6O2/c18-21-17(22-19)14-7-5-12(6-8-14)11-20-15-4-2-1-3-13(15)9-10-16(24)23-25/h1-10,20,25H,11,18-19H2,(H,21,22)(H,23,24)/b10-9+
InChIKeyDRDJYDBSWJMGTM-MDZDMXLPSA-N
MW340.39 g/mol
LogP0.90
Rot. Bonds6

About (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 166920751) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID166920751
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESN/N=C(\NN)c1ccc(CNc2ccccc2/C=C/C(=O)NO)cc1
InChIInChI=1S/C17H20N6O2/c18-21-17(22-19)14-7-5-12(6-8-14)11-20-15-4-2-1-3-13(15)9-10-16(24)23-25/h1-10,20,25H,11,18-19H2,(H,21,22)(H,23,24)/b10-9+
InChIKeyDRDJYDBSWJMGTM-MDZDMXLPSA-N
XLogP0.90
TPSA137.79 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 50.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-hydroxy-3-[2-[(4-methylsulfonylphenyl)methylamino]phenyl]prop-2-enamide
CID 122514212
(E)-N-hydroxy-3-[2-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]prop-2-enamide
CID 122514073
(E)-N-hydroxy-3-[2-[[3-(3-hydroxypropyl)phenyl]methylamino]phenyl]prop-2-enamide;methyl (E)-3-[2-[[3-(3-hydroxypropyl)phenyl]methylamino]phenyl]prop-2-enoate
CID 160949012
methyl (E)-3-[2-[(4-methylsulfonylphenyl)methylamino]phenyl]prop-2-enoate
CID 122514411
(E)-N-hydroxy-3-[4-[[2-(1H-indol-2-yl)anilino]methyl]phenyl]prop-2-enamide
CID 20579340
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(3-hydroxypropyl)benzamide
CID 122514143
4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
CID 122514275
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
CID 122514304
(E)-3-[2-[2-(4-ethylphenyl)acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 159997412

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide (CID 166920751) is (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide is N/N=C(\NN)c1ccc(CNc2ccccc2/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is DRDJYDBSWJMGTM-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-21-17(22-19)14-7-5-12(6-8-14)11-20-15-4-2-1-3-13(15)9-10-16(24)23-25/h1-10,20,25H,11,18-19H2,(H,21,22)(H,23,24)/b10-9+.
What are the key properties of (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 340.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[[4-[(Z)-N-aminocarbamohydrazonoyl]phenyl]methylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166920751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).