N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide

C18H22N2O4 — CID 95593788

IUPACN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C18H22N2O4/c1-11-4-2-3-5-15(11)24-9-8-19-16(21)12-6-7-13-14(10-12)18(23)20-17(13)22/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,21)(H,20,22,23)/t11-,15+/m0/s1
InChIKeyQSWWYGWWAIDMPS-XHDPSFHLSA-N
MW330.38 g/mol
LogP1.90
Rot. Bonds5

About N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide

N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 95593788) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID95593788
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESC[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C18H22N2O4/c1-11-4-2-3-5-15(11)24-9-8-19-16(21)12-6-7-13-14(10-12)18(23)20-17(13)22/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,21)(H,20,22,23)/t11-,15+/m0/s1
InChIKeyQSWWYGWWAIDMPS-XHDPSFHLSA-N
XLogP1.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55717357
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94121849
4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
CID 55849532
2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
CID 94180241
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 95904490
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55724110
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide (CID 95593788) is N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide is C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QSWWYGWWAIDMPS-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-4-2-3-5-15(11)24-9-8-19-16(21)12-6-7-13-14(10-12)18(23)20-17(13)22/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,21)(H,20,22,23)/t11-,15+/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide?
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 95593788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).