N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C18H24N2O3 — CID 109398997

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1cccc2c1N(C(=O)C(=O)N(C)CC1CCCC1O)CC2
InChIInChI=1S/C18H24N2O3/c1-12-5-3-6-13-9-10-20(16(12)13)18(23)17(22)19(2)11-14-7-4-8-15(14)21/h3,5-6,14-15,21H,4,7-11H2,1-2H3
InChIKeyXVEDALZDNWTHDT-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.50
Rot. Bonds2

About N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 109398997) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID109398997
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1cccc2c1N(C(=O)C(=O)N(C)CC1CCCC1O)CC2
InChIInChI=1S/C18H24N2O3/c1-12-5-3-6-13-9-10-20(16(12)13)18(23)17(22)19(2)11-14-7-4-8-15(14)21/h3,5-6,14-15,21H,4,7-11H2,1-2H3
InChIKeyXVEDALZDNWTHDT-UHFFFAOYSA-N
XLogP1.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 109398997) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is Cc1cccc2c1N(C(=O)C(=O)N(C)CC1CCCC1O)CC2.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is XVEDALZDNWTHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-5-3-6-13-9-10-20(16(12)13)18(23)17(22)19(2)11-14-7-4-8-15(14)21/h3,5-6,14-15,21H,4,7-11H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 109398997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).