(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

C18H28N2O3 — CID 154711151

IUPAC(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)/C=C1\CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N2O3/c1-12(2)11-19-17(22)13(3)9-14-10-16(21)20(18(14)23)15-7-5-4-6-8-15/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,19,22)/b14-9+
InChIKeyKZINROCKXRSTFV-NTEUORMPSA-N
MW320.43 g/mol
LogP2.41
Rot. Bonds5

About (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 154711151) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID154711151
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)/C=C1\CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N2O3/c1-12(2)11-19-17(22)13(3)9-14-10-16(21)20(18(14)23)15-7-5-4-6-8-15/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,19,22)/b14-9+
InChIKeyKZINROCKXRSTFV-NTEUORMPSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2R)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077816
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2S)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077832
(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide
CID 134847370
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685
(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
CID 154710873
(3E)-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 154711077
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711150
(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711264
1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 72106916
N-cyclohexyl-N',N'-diethyl-2-methyl-3-methylidenebutanediamide
CID 23452250
5-Amino-2-(2-methylpropyl)-5,6-dihydroisoindole-1,3-dione
CID 70974494
(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione
CID 89215004

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (CID 154711151) is (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)/C=C1\CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is KZINROCKXRSTFV-NTEUORMPSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)11-19-17(22)13(3)9-14-10-16(21)20(18(14)23)15-7-5-4-6-8-15/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,19,22)/b14-9+.
What are the key properties of (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
(3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 154711151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).