N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide

C18H23NO2 — CID 91631310

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCOC1(CNC(=O)C2CC=CCC2)Cc2ccccc2C1
InChIInChI=1S/C18H23NO2/c1-21-18(11-15-9-5-6-10-16(15)12-18)13-19-17(20)14-7-3-2-4-8-14/h2-3,5-6,9-10,14H,4,7-8,11-13H2,1H3,(H,19,20)
InChIKeyXRYBHZDFCZBORS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.64
Rot. Bonds4

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 91631310) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID91631310
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCOC1(CNC(=O)C2CC=CCC2)Cc2ccccc2C1
InChIInChI=1S/C18H23NO2/c1-21-18(11-15-9-5-6-10-16(15)12-18)13-19-17(20)14-7-3-2-4-8-14/h2-3,5-6,9-10,14H,4,7-8,11-13H2,1H3,(H,19,20)
InChIKeyXRYBHZDFCZBORS-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]propanamide
CID 91631320
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 91631323
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
N-(2-methoxy-2-phenylbutyl)cyclohex-3-enecarboxamide
CID 71810746
N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)tetrahydrofuran-3-carboxamide
CID 91631196
1-(((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)amino)-2-methyl-1-oxopropan-2-yl acetate
CID 91631197
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-methylbenzamide
CID 91631268
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91631274
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
2-(2-chlorophenyl)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631288
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylthio)propanamide
CID 91631297

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 91631310) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide is COC1(CNC(=O)C2CC=CCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XRYBHZDFCZBORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-18(11-15-9-5-6-10-16(15)12-18)13-19-17(20)14-7-3-2-4-8-14/h2-3,5-6,9-10,14H,4,7-8,11-13H2,1H3,(H,19,20).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91631310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).