N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide

C20H28N2O2 — CID 70730450

IUPACN-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)N(C)CCC3(O)CCCC3)c(C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-11-14(2)17-16(12-13)15(3)18(21-17)19(23)22(4)10-9-20(24)7-5-6-8-20/h11-12,21,24H,5-10H2,1-4H3
InChIKeyFNOHIUHAOSEOFZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.86
Rot. Bonds4

About N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide

N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide (PubChem CID 70730450) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide
PubChem CID70730450
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)N(C)CCC3(O)CCCC3)c(C)c2c1
InChIInChI=1S/C20H28N2O2/c1-13-11-14(2)17-16(12-13)15(3)18(21-17)19(23)22(4)10-9-20(24)7-5-6-8-20/h11-12,21,24H,5-10H2,1-4H3
InChIKeyFNOHIUHAOSEOFZ-UHFFFAOYSA-N
XLogP3.86
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide (CID 70730450) is N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)N(C)CCC3(O)CCCC3)c(C)c2c1.
What is the InChIKey of N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide?
The InChIKey is FNOHIUHAOSEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-11-14(2)17-16(12-13)15(3)18(21-17)19(23)22(4)10-9-20(24)7-5-6-8-20/h11-12,21,24H,5-10H2,1-4H3.
What are the key properties of N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide?
N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopentyl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70730450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).