(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide

C20H23N3O3 — CID 5371052

IUPAC(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
SMILESCOc1ccc(CC(=O)N/N=C(\C)CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(13-20(25)23(2)17-7-5-4-6-8-17)21-22-19(24)14-16-9-11-18(26-3)12-10-16/h4-12H,13-14H2,1-3H3,(H,22,24)/b21-15+
InChIKeyJCAFDTBMPMTSSA-RCCKNPSSSA-N
MW353.42 g/mol
LogP2.78
Rot. Bonds7

About (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide

(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide (PubChem CID 5371052) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
PubChem CID5371052
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
SMILESCOc1ccc(CC(=O)N/N=C(\C)CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(13-20(25)23(2)17-7-5-4-6-8-17)21-22-19(24)14-16-9-11-18(26-3)12-10-16/h4-12H,13-14H2,1-3H3,(H,22,24)/b21-15+
InChIKeyJCAFDTBMPMTSSA-RCCKNPSSSA-N
XLogP2.78
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
3-[(4-methoxyphenyl)methylamino]-N-methyl-N-phenylpropanamide
CID 109022468
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027641
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
The IUPAC name of (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide (CID 5371052) is (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
The canonical SMILES for (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide is COc1ccc(CC(=O)N/N=C(\C)CC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
The InChIKey is JCAFDTBMPMTSSA-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(13-20(25)23(2)17-7-5-4-6-8-17)21-22-19(24)14-16-9-11-18(26-3)12-10-16/h4-12H,13-14H2,1-3H3,(H,22,24)/b21-15+.
What are the key properties of (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide?
(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide has a molecular weight of 353.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 5371052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).