4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide

C21H21N3O5 — CID 31466059

IUPAC4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1C
InChIInChI=1S/C21H21N3O5/c1-12-18(14(3)25)13(2)22-19(12)21(27)24-23-20(26)17-10-9-16(29-17)11-28-15-7-5-4-6-8-15/h4-10,22H,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLMQITXDXHWKCTH-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.08
Rot. Bonds6

About 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide

4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 31466059) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
PubChem CID31466059
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1C
InChIInChI=1S/C21H21N3O5/c1-12-18(14(3)25)13(2)22-19(12)21(27)24-23-20(26)17-10-9-16(29-17)11-28-15-7-5-4-6-8-15/h4-10,22H,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLMQITXDXHWKCTH-UHFFFAOYSA-N
XLogP3.08
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
CID 26808263
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide (CID 31466059) is 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide is CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is LMQITXDXHWKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-12-18(14(3)25)13(2)22-19(12)21(27)24-23-20(26)17-10-9-16(29-17)11-28-15-7-5-4-6-8-15/h4-10,22H,11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide?
4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 395.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 31466059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).