4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide

C20H24N4O3 — CID 9259568

IUPAC4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H24N4O3/c1-20(2,3)16-9-7-15(8-10-16)19(25)22-21-13-14-6-11-17(23(4)5)18(12-14)24(26)27/h6-13H,1-5H3,(H,22,25)/b21-13-
InChIKeyGMFDBCHFPDMJIM-BKUYFWCQSA-N
MW368.44 g/mol
LogP3.72
Rot. Bonds5

About 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide

4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide (PubChem CID 9259568) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
PubChem CID9259568
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H24N4O3/c1-20(2,3)16-9-7-15(8-10-16)19(25)22-21-13-14-6-11-17(23(4)5)18(12-14)24(26)27/h6-13H,1-5H3,(H,22,25)/b21-13-
InChIKeyGMFDBCHFPDMJIM-BKUYFWCQSA-N
XLogP3.72
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 3383054
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-nitrobenzamide
CID 7635577
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9261042
4-chloro-N-[1-[2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4261925
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5222623
N,N-dimethyl-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]-2-nitroaniline
CID 9059583
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 3466247
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
CID 51712109
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide (CID 9259568) is 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The InChIKey is GMFDBCHFPDMJIM-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)16-9-7-15(8-10-16)19(25)22-21-13-14-6-11-17(23(4)5)18(12-14)24(26)27/h6-13H,1-5H3,(H,22,25)/b21-13-.
What are the key properties of 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide is sourced from PubChem (CID 9259568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).