(3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide

C20H24N4O2 — CID 155304079

IUPAC(3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide
SMILESCCc1cccc(NC(=O)C(C)/C(C)=N\N(C=O)c2ccc(N)cc2)c1
InChIInChI=1S/C20H24N4O2/c1-4-16-6-5-7-18(12-16)22-20(26)14(2)15(3)23-24(13-25)19-10-8-17(21)9-11-19/h5-14H,4,21H2,1-3H3,(H,22,26)/b23-15-
InChIKeyDCTLNRJRQHOPAD-HAHDFKILSA-N
MW352.44 g/mol
LogP3.44
Rot. Bonds7

About (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide

(3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide (PubChem CID 155304079) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide
PubChem CID155304079
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide
SMILESCCc1cccc(NC(=O)C(C)/C(C)=N\N(C=O)c2ccc(N)cc2)c1
InChIInChI=1S/C20H24N4O2/c1-4-16-6-5-7-18(12-16)22-20(26)14(2)15(3)23-24(13-25)19-10-8-17(21)9-11-19/h5-14H,4,21H2,1-3H3,(H,22,26)/b23-15-
InChIKeyDCTLNRJRQHOPAD-HAHDFKILSA-N
XLogP3.44
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[[4-(difluoromethoxy)phenyl]-formylhydrazinylidene]-N-[3-(1,1-difluoropropyl)phenyl]-2-methylbutanamide
CID 155311365
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide?
The IUPAC name of (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide (CID 155304079) is (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide.
What is the SMILES notation for (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide?
The canonical SMILES for (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide is CCc1cccc(NC(=O)C(C)/C(C)=N\N(C=O)c2ccc(N)cc2)c1.
What is the InChIKey of (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide?
The InChIKey is DCTLNRJRQHOPAD-HAHDFKILSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-16-6-5-7-18(12-16)22-20(26)14(2)15(3)23-24(13-25)19-10-8-17(21)9-11-19/h5-14H,4,21H2,1-3H3,(H,22,26)/b23-15-.
What are the key properties of (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide?
(3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide has a molecular weight of 352.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-aminophenyl)-formylhydrazinylidene]-N-(3-ethylphenyl)-2-methylbutanamide is sourced from PubChem (CID 155304079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).