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

C21H26N4O3 — CID 3636955

IUPACN-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(N(C)C)cc1)=NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C21H26N4O3/c1-15-5-11-19(12-6-15)28-14-21(27)24-23-16(2)13-20(26)22-17-7-9-18(10-8-17)25(3)4/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyALTZFSFMIYEXRC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.96
Rot. Bonds8

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

N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 3636955) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID3636955
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(N(C)C)cc1)=NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C21H26N4O3/c1-15-5-11-19(12-6-15)28-14-21(27)24-23-16(2)13-20(26)22-17-7-9-18(10-8-17)25(3)4/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyALTZFSFMIYEXRC-UHFFFAOYSA-N
XLogP2.96
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 3105733
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3780148
(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
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3105692
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
2-(4-cyanophenoxy)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 9256860

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide (CID 3636955) is N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide is CC(CC(=O)Nc1ccc(N(C)C)cc1)=NNC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is ALTZFSFMIYEXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-5-11-19(12-6-15)28-14-21(27)24-23-16(2)13-20(26)22-17-7-9-18(10-8-17)25(3)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-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 382.46 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3636955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).