(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide

C17H26N4O3 — CID 98385369

IUPAC(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
SMILESN/N=C1/C(=O)N(C2CCCCC2)C(=O)[C@@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O3/c18-20-14-13(15(22)19-11-7-3-1-4-8-11)16(23)21(17(14)24)12-9-5-2-6-10-12/h11-13H,1-10,18H2,(H,19,22)/b20-14+/t13-/m0/s1
InChIKeyRPBSNEWYZGLSRS-XXACCHKKSA-N
MW334.42 g/mol
LogP1.07
Rot. Bonds3

About (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide

(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide (PubChem CID 98385369) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
PubChem CID98385369
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
SMILESN/N=C1/C(=O)N(C2CCCCC2)C(=O)[C@@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O3/c18-20-14-13(15(22)19-11-7-3-1-4-8-11)16(23)21(17(14)24)12-9-5-2-6-10-12/h11-13H,1-10,18H2,(H,19,22)/b20-14+/t13-/m0/s1
InChIKeyRPBSNEWYZGLSRS-XXACCHKKSA-N
XLogP1.07
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-N,1-dicyclohexyl-3-(cyclohexylamino)-2,5,6-trioxopiperidine-4-carboxamide
CID 124550709
1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 176561401
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carboxylic acid
CID 171716389
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide
CID 97015821
(3S,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide
CID 7921972
N-cycloheptylcycloheptanecarboxamide
CID 129091005
(3R,4E)-N,1-dicyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxamide
CID 7921970
N-cyclodecylcyclododecanecarboxamide
CID 135182352
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225

Frequently Asked Questions

What is the IUPAC name of (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide (CID 98385369) is (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide is N/N=C1/C(=O)N(C2CCCCC2)C(=O)[C@@H]1C(=O)NC1CCCCC1.
What is the InChIKey of (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is RPBSNEWYZGLSRS-XXACCHKKSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-20-14-13(15(22)19-11-7-3-1-4-8-11)16(23)21(17(14)24)12-9-5-2-6-10-12/h11-13H,1-10,18H2,(H,19,22)/b20-14+/t13-/m0/s1.
What are the key properties of (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 98385369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).