(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C19H26N2O3 — CID 110003645

IUPAC(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C19H26N2O3/c1-13(22)21-16-9-5-3-7-14(16)11-17(21)19(24)20(2)12-15-8-4-6-10-18(15)23/h3,5,7,9,15,17-18,23H,4,6,8,10-12H2,1-2H3/t15?,17-,18?/m0/s1
InChIKeyWHDHVFXJTBZBOQ-NXYGQSRBSA-N
MW330.43 g/mol
LogP1.97
Rot. Bonds3

About (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 110003645) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID110003645
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C19H26N2O3/c1-13(22)21-16-9-5-3-7-14(16)11-17(21)19(24)20(2)12-15-8-4-6-10-18(15)23/h3,5,7,9,15,17-18,23H,4,6,8,10-12H2,1-2H3/t15?,17-,18?/m0/s1
InChIKeyWHDHVFXJTBZBOQ-NXYGQSRBSA-N
XLogP1.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 109399971
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 136580393
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
(2S)-1-[cyclobutylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62856962
(2S)-1-[cyclopropylmethyl(methyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61207294
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 110003994
(2S)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 63699600
3-[(2R)-1-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperidin-2-yl]propanoic acid
CID 124681571

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 110003645) is (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)CC1CCCCC1O.
What is the InChIKey of (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is WHDHVFXJTBZBOQ-NXYGQSRBSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(22)21-16-9-5-3-7-14(16)11-17(21)19(24)20(2)12-15-8-4-6-10-18(15)23/h3,5,7,9,15,17-18,23H,4,6,8,10-12H2,1-2H3/t15?,17-,18?/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 110003645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).