N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

C15H17N3O3 — CID 78816084

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)c(C)c1
InChIInChI=1S/C15H17N3O3/c1-10-5-6-13(11(2)8-10)21-9-14(19)17-18-15(20)12-4-3-7-16-12/h3-8,16H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLDBDMXZFQXXIKJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds4

About N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78816084) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78816084
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)c(C)c1
InChIInChI=1S/C15H17N3O3/c1-10-5-6-13(11(2)8-10)21-9-14(19)17-18-15(20)12-4-3-7-16-12/h3-8,16H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLDBDMXZFQXXIKJ-UHFFFAOYSA-N
XLogP1.47
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
methyl 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175383
5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949715
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922707

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (CID 78816084) is N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccc[nH]2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is LDBDMXZFQXXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-5-6-13(11(2)8-10)21-9-14(19)17-18-15(20)12-4-3-7-16-12/h3-8,16H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78816084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).