N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide

C18H24N2O2 — CID 118793383

IUPACN-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide
SMILESCOCC1(NC(=O)c2cc3ccc(C)cc3n2C)CCCC1
InChIInChI=1S/C18H24N2O2/c1-13-6-7-14-11-16(20(2)15(14)10-13)17(21)19-18(12-22-3)8-4-5-9-18/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
InChIKeyOAPXLIDCQSUAEO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide

N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide (PubChem CID 118793383) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide
PubChem CID118793383
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide
SMILESCOCC1(NC(=O)c2cc3ccc(C)cc3n2C)CCCC1
InChIInChI=1S/C18H24N2O2/c1-13-6-7-14-11-16(20(2)15(14)10-13)17(21)19-18(12-22-3)8-4-5-9-18/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
InChIKeyOAPXLIDCQSUAEO-UHFFFAOYSA-N
XLogP3.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide (CID 118793383) is N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide is COCC1(NC(=O)c2cc3ccc(C)cc3n2C)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide?
The InChIKey is OAPXLIDCQSUAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-6-7-14-11-16(20(2)15(14)10-13)17(21)19-18(12-22-3)8-4-5-9-18/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide?
N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide is sourced from PubChem (CID 118793383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).