N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide

C14H21N3O4 — CID 8844824

IUPACN'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
SMILESCOc1ccc(CN(C)CC(=O)NNC(C)=O)cc1OC
InChIInChI=1S/C14H21N3O4/c1-10(18)15-16-14(19)9-17(2)8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyGRGDLUVUJSZNJZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.30
Rot. Bonds6

About N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide

N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide (PubChem CID 8844824) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
PubChem CID8844824
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
SMILESCOc1ccc(CN(C)CC(=O)NNC(C)=O)cc1OC
InChIInChI=1S/C14H21N3O4/c1-10(18)15-16-14(19)9-17(2)8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyGRGDLUVUJSZNJZ-UHFFFAOYSA-N
XLogP0.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9058250
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide?
The IUPAC name of N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide (CID 8844824) is N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide is COc1ccc(CN(C)CC(=O)NNC(C)=O)cc1OC.
What is the InChIKey of N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide?
The InChIKey is GRGDLUVUJSZNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(18)15-16-14(19)9-17(2)8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8-9H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide?
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide has a molecular weight of 295.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide is sourced from PubChem (CID 8844824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).