N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane

C21H38N2O3 — CID 145240187

IUPACN-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
SMILESCC.CC.CC(C)(C)CNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C17H26N2O3.2C2H6/c1-17(2,3)11-18-16(22)13-6-4-12(5-7-13)10-19-14(20)8-9-15(19)21;2*1-2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,22);2*1-2H3
InChIKeyDCTLHYWRBDGYCZ-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.93
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane

N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane (PubChem CID 145240187) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
PubChem CID145240187
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC NameN-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane
SMILESCC.CC.CC(C)(C)CNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C17H26N2O3.2C2H6/c1-17(2,3)11-18-16(22)13-6-4-12(5-7-13)10-19-14(20)8-9-15(19)21;2*1-2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,22);2*1-2H3
InChIKeyDCTLHYWRBDGYCZ-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 130219574
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 4200874
CID 158801537
CID 158801537
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(N'-methylcarbamimidoyl)cyclohexane-1-carboxamide
CID 89404221
N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 138492356
2-[3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]propyl]-N,N'-bis(3-hydroxypropyl)propanediamide
CID 157128199
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid;methane;propan-2-one
CID 143503525
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[[1-(4-hydroxy-2-methylbutan-2-yl)triazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 177226808
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(6-methoxyphosphanyloxyhexyl)cyclohexane-1-carboxamide
CID 177203804
2-amino-6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 175574435
(2,5-dioxopyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 11652864
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane (CID 145240187) is N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane is CC.CC.CC(C)(C)CNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane?
The InChIKey is DCTLHYWRBDGYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.2C2H6/c1-17(2,3)11-18-16(22)13-6-4-12(5-7-13)10-19-14(20)8-9-15(19)21;2*1-2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,22);2*1-2H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane?
N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane has a molecular weight of 366.55 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 145240187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).