4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C16H20N2O2 — CID 46521932

IUPAC4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCC3CCCO3)[nH]c2c1
InChIInChI=1S/C16H20N2O2/c1-10-6-11(2)13-8-15(18-14(13)7-10)16(19)17-9-12-4-3-5-20-12/h6-8,12,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyHXKPFMSJLRFQGL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds3

About 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 46521932) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID46521932
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCC3CCCO3)[nH]c2c1
InChIInChI=1S/C16H20N2O2/c1-10-6-11(2)13-8-15(18-14(13)7-10)16(19)17-9-12-4-3-5-20-12/h6-8,12,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyHXKPFMSJLRFQGL-UHFFFAOYSA-N
XLogP2.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
N-[[(2R)-oxolan-2-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 39977666
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
CID 99809059
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 46521932) is 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCC3CCCO3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is HXKPFMSJLRFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-6-11(2)13-8-15(18-14(13)7-10)16(19)17-9-12-4-3-5-20-12/h6-8,12,18H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46521932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).