N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide

C21H26N4O4 — CID 3780148

IUPACN-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccccc1OCC(=O)NN=C(C)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C21H26N4O4/c1-15(13-20(26)22-16-9-11-17(12-10-16)25(2)3)23-24-21(27)14-29-19-8-6-5-7-18(19)28-4/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyGDNOOPJQVQJKEJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.66
Rot. Bonds9

About N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide

N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 3780148) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID3780148
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccccc1OCC(=O)NN=C(C)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C21H26N4O4/c1-15(13-20(26)22-16-9-11-17(12-10-16)25(2)3)23-24-21(27)14-29-19-8-6-5-7-18(19)28-4/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyGDNOOPJQVQJKEJ-UHFFFAOYSA-N
XLogP2.66
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3636955
(3Z)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 6018411
3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 4135097
3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 3105733
3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide
CID 3829481
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
N-(4-ethylphenyl)-3-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]butanamide
CID 5035424
N-[4-(N-ethylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112986562
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide (CID 3780148) is N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide is COc1ccccc1OCC(=O)NN=C(C)CC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is GDNOOPJQVQJKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(13-20(26)22-16-9-11-17(12-10-16)25(2)3)23-24-21(27)14-29-19-8-6-5-7-18(19)28-4/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide?
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 398.46 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3780148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).