N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide

C19H26N2O — CID 7328535

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C19H26N2O/c1-13-7-6-9-17(15(13)3)20-19(22)12-21-14(2)11-16-8-4-5-10-18(16)21/h4-5,8,10-11,13,15,17H,6-7,9,12H2,1-3H3,(H,20,22)/t13-,15+,17+/m0/s1
InChIKeyZCAFLKUJZUZMIA-YSVLISHTSA-N
MW298.43 g/mol
LogP3.89
Rot. Bonds3

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 7328535) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID7328535
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C19H26N2O/c1-13-7-6-9-17(15(13)3)20-19(22)12-21-14(2)11-16-8-4-5-10-18(16)21/h4-5,8,10-11,13,15,17H,6-7,9,12H2,1-3H3,(H,20,22)/t13-,15+,17+/m0/s1
InChIKeyZCAFLKUJZUZMIA-YSVLISHTSA-N
XLogP3.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 11897735
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 98766541
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-methylcyclohexyl)acetamide
CID 108794994
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 7316987
2-(2-methylindol-1-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62491076
2-(2-methylindol-1-yl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 30855548

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide (CID 7328535) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is ZCAFLKUJZUZMIA-YSVLISHTSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-7-6-9-17(15(13)3)20-19(22)12-21-14(2)11-16-8-4-5-10-18(16)21/h4-5,8,10-11,13,15,17H,6-7,9,12H2,1-3H3,(H,20,22)/t13-,15+,17+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 7328535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).