N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide

C17H22N2O2 — CID 111464297

IUPACN-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCC3CCCC3O)[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-10-6-11(2)13-8-15(19-14(13)7-10)17(21)18-9-12-4-3-5-16(12)20/h6-8,12,16,19-20H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyFDDRTTVFYCCQGL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 111464297) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID111464297
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCC3CCCC3O)[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-10-6-11(2)13-8-15(19-14(13)7-10)17(21)18-9-12-4-3-5-16(12)20/h6-8,12,16,19-20H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyFDDRTTVFYCCQGL-UHFFFAOYSA-N
XLogP2.68
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
CID 99809059
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670
N-[(2S)-1-methoxypropan-2-yl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 6934364
N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 110022441
4,6-dimethyl-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide
CID 163202237
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
4,6-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 86930506
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134032937
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 64912798

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide (CID 111464297) is N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCC3CCCC3O)[nH]c2c1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is FDDRTTVFYCCQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-6-11(2)13-8-15(19-14(13)7-10)17(21)18-9-12-4-3-5-16(12)20/h6-8,12,16,19-20H,3-5,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 111464297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).