4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide

C22H32N2O — CID 122650312

IUPAC4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3C[C@@H](C)C(C)(C)[C@@H](C)[C@@H]3C)[nH]c2c1
InChIInChI=1S/C22H32N2O/c1-12-8-13(2)17-11-20(23-19(17)9-12)21(25)24-18-10-14(3)22(6,7)16(5)15(18)4/h8-9,11,14-16,18,23H,10H2,1-7H3,(H,24,25)/t14-,15+,16+,18?/m1/s1
InChIKeyHYKWOSGPKWTFJZ-PGQZYJQNSA-N
MW340.51 g/mol
LogP5.22
Rot. Bonds2

About 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide (PubChem CID 122650312) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide
PubChem CID122650312
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3C[C@@H](C)C(C)(C)[C@@H](C)[C@@H]3C)[nH]c2c1
InChIInChI=1S/C22H32N2O/c1-12-8-13(2)17-11-20(23-19(17)9-12)21(25)24-18-10-14(3)22(6,7)16(5)15(18)4/h8-9,11,14-16,18,23H,10H2,1-7H3,(H,24,25)/t14-,15+,16+,18?/m1/s1
InChIKeyHYKWOSGPKWTFJZ-PGQZYJQNSA-N
XLogP5.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

4,6-dimethyl-N-(5-silaspiro[4.5]decan-8-yl)-1H-indole-2-carboxamide
CID 163202237
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
4,6-dimethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 46521932
N-[(3R,4S)-3,4-dihydroxycyclopentyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
CID 166269622
4,5-dimethyl-N-(2-methylcyclopentyl)-1H-indole-2-carboxamide
CID 86963857
4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
CID 124674116
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 38199392
4-chloro-N-[(2S,3S,4S)-3,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175283473
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
CID 166355477
N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide
CID 35932108
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide (CID 122650312) is 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3C[C@@H](C)C(C)(C)[C@@H](C)[C@@H]3C)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is HYKWOSGPKWTFJZ-PGQZYJQNSA-N. The full InChI is InChI=1S/C22H32N2O/c1-12-8-13(2)17-11-20(23-19(17)9-12)21(25)24-18-10-14(3)22(6,7)16(5)15(18)4/h8-9,11,14-16,18,23H,10H2,1-7H3,(H,24,25)/t14-,15+,16+,18?/m1/s1.
What are the key properties of 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2S,3S,5R)-2,3,4,4,5-pentamethylcyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 122650312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).