N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C22H28N4O3 — CID 2437967

IUPACN-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H28N4O3/c1-15-13-19(16(2)26(15)18-11-7-4-8-12-18)22(29)25-24-20(27)14-23-21(28)17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyFAOBZYRSVXIAQY-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2437967) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2437967
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H28N4O3/c1-15-13-19(16(2)26(15)18-11-7-4-8-12-18)22(29)25-24-20(27)14-23-21(28)17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyFAOBZYRSVXIAQY-UHFFFAOYSA-N
XLogP2.55
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
CID 110642184
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N-[2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540815
N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925375
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
N'-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 3481962
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 2437967) is N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is Cc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is FAOBZYRSVXIAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-13-19(16(2)26(15)18-11-7-4-8-12-18)22(29)25-24-20(27)14-23-21(28)17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2437967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).