1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C17H28N4O4 — CID 20757885

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)N(CCC1=CCCCC1)CC(=O)NO
InChIInChI=1S/C17H28N4O4/c1-18-16(23)14-8-5-10-21(14)17(24)20(12-15(22)19-25)11-9-13-6-3-2-4-7-13/h6,14,25H,2-5,7-12H2,1H3,(H,18,23)(H,19,22)
InChIKeyMJDIPGFGLFWGSI-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.01
Rot. Bonds6

About 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 20757885) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID20757885
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)N(CCC1=CCCCC1)CC(=O)NO
InChIInChI=1S/C17H28N4O4/c1-18-16(23)14-8-5-10-21(14)17(24)20(12-15(22)19-25)11-9-13-6-3-2-4-7-13/h6,14,25H,2-5,7-12H2,1H3,(H,18,23)(H,19,22)
InChIKeyMJDIPGFGLFWGSI-UHFFFAOYSA-N
XLogP1.01
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide
CID 59908753
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 59908765
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 644827
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 59908762
3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid
CID 82323978
2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065974
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159748
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 20757885) is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)C1CCCN1C(=O)N(CCC1=CCCCC1)CC(=O)NO.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is MJDIPGFGLFWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-18-16(23)14-8-5-10-21(14)17(24)20(12-15(22)19-25)11-9-13-6-3-2-4-7-13/h6,14,25H,2-5,7-12H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 20757885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).