(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide

C23H21N5O8 — CID 5465006

IUPAC(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide
SMILESCOc1ccc(NC(=O)CC/C(CC(=O)c2ccco2)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H21N5O8/c1-35-18-8-4-15(5-9-18)24-23(30)11-6-16(13-21(29)22-3-2-12-36-22)25-26-19-10-7-17(27(31)32)14-20(19)28(33)34/h2-5,7-10,12,14,26H,6,11,13H2,1H3,(H,24,30)/b25-16-
InChIKeyVBTCEGMIRORDEZ-XYGWBWBKSA-N
MW495.45 g/mol
LogP4.56
Rot. Bonds12

About (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide

(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide (PubChem CID 5465006) has the molecular formula C23H21N5O8 and a molecular weight of 495.45 g/mol. Its IUPAC name is (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide.

Molecular Properties

Compound Name(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide
PubChem CID5465006
Molecular FormulaC23H21N5O8
Molecular Weight495.45 g/mol
Exact Mass495.14
IUPAC Name(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide
SMILESCOc1ccc(NC(=O)CC/C(CC(=O)c2ccco2)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H21N5O8/c1-35-18-8-4-15(5-9-18)24-23(30)11-6-16(13-21(29)22-3-2-12-36-22)25-26-19-10-7-17(27(31)32)14-20(19)28(33)34/h2-5,7-10,12,14,26H,6,11,13H2,1H3,(H,24,30)/b25-16-
InChIKeyVBTCEGMIRORDEZ-XYGWBWBKSA-N
XLogP4.56
TPSA179.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
N-[4-(2,4-dinitroanilino)phenyl]-3-phenylpropanamide
CID 17233528
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[2-(4-methoxyphenyl)ethyl]-2,4-dinitroaniline
CID 9281277
2,4-dinitro-N-[(E)-1-phenylbutan-2-ylideneamino]aniline
CID 5385748
N-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2,4-dinitroaniline
CID 129439911
N-[(E)-4-methoxybutan-2-ylideneamino]-2,4-dinitroaniline
CID 121223043
(4-nitrophenyl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 1310146
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 5-anilino-5-oxopentanoate
CID 92652605
N-(4-fluoro-3-nitrophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 49097914

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide?
The IUPAC name of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide (CID 5465006) is (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide.
What is the SMILES notation for (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide?
The canonical SMILES for (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide is COc1ccc(NC(=O)CC/C(CC(=O)c2ccco2)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide?
The InChIKey is VBTCEGMIRORDEZ-XYGWBWBKSA-N. The full InChI is InChI=1S/C23H21N5O8/c1-35-18-8-4-15(5-9-18)24-23(30)11-6-16(13-21(29)22-3-2-12-36-22)25-26-19-10-7-17(27(31)32)14-20(19)28(33)34/h2-5,7-10,12,14,26H,6,11,13H2,1H3,(H,24,30)/b25-16-.
What are the key properties of (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide?
(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide has a molecular weight of 495.45 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-(furan-2-yl)-N-(4-methoxyphenyl)-6-oxohexanamide is sourced from PubChem (CID 5465006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).