1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide

C21H24N4O2 — CID 60527303

IUPAC1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)21(27)25-14-6-9-19(25)20(26)22-16-10-12-18(13-11-16)24-23-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19H,6,9,14H2,1-2H3,(H,22,26)/b24-23+
InChIKeyODIDSDBPMGRUBQ-WCWDXBQESA-N
MW364.45 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide

1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide (PubChem CID 60527303) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
PubChem CID60527303
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)21(27)25-14-6-9-19(25)20(26)22-16-10-12-18(13-11-16)24-23-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19H,6,9,14H2,1-2H3,(H,22,26)/b24-23+
InChIKeyODIDSDBPMGRUBQ-WCWDXBQESA-N
XLogP4.69
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11101307
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
N-[4-(diethylamino)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527411
1-(2-methylpropanoyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55875608
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419
(2S)-1-[(2R)-2-(2-methylpropanoylamino)-2-phenylacetyl]-N-[4-[4-[[(2S)-1-[(2R)-2-(2-methylpropanoylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 70896312
1-[2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 91170695
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-1-(2-methylpropanoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-2-carboxamide
CID 94589763
1-[(2S)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[4-[[1-[(2S)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 118691640
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide (CID 60527303) is 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCCC1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ODIDSDBPMGRUBQ-WCWDXBQESA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)21(27)25-14-6-9-19(25)20(26)22-16-10-12-18(13-11-16)24-23-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19H,6,9,14H2,1-2H3,(H,22,26)/b24-23+.
What are the key properties of 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide?
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60527303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).