2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide

C17H22N2O2 — CID 132606381

IUPAC2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide
SMILESCC[C@H]1Cc2c([nH]c3ccccc23)[C@H](O)[C@@H]1CC(=O)NC
InChIInChI=1S/C17H22N2O2/c1-3-10-8-13-11-6-4-5-7-14(11)19-16(13)17(21)12(10)9-15(20)18-2/h4-7,10,12,17,19,21H,3,8-9H2,1-2H3,(H,18,20)/t10-,12+,17+/m0/s1
InChIKeyWDZCVJHPTUVXGU-GSDQYQHOSA-N
MW286.37 g/mol
LogP2.54
Rot. Bonds3

About 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide

2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide (PubChem CID 132606381) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide
PubChem CID132606381
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide
SMILESCC[C@H]1Cc2c([nH]c3ccccc23)[C@H](O)[C@@H]1CC(=O)NC
InChIInChI=1S/C17H22N2O2/c1-3-10-8-13-11-6-4-5-7-14(11)19-16(13)17(21)12(10)9-15(20)18-2/h4-7,10,12,17,19,21H,3,8-9H2,1-2H3,(H,18,20)/t10-,12+,17+/m0/s1
InChIKeyWDZCVJHPTUVXGU-GSDQYQHOSA-N
XLogP2.54
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide with MolForge

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Related Compounds

2-[(1S,2S,3R)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide
CID 132606380
(4R)-4-ethyl-1-methyl-3,3a,4,5,10,10b-hexahydropyrrolo[2,3-a]carbazol-2-one
CID 134846042
methyl (1R,3S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 707583
methyl 2-[(2R,3R,6S,12bS)-6-cyano-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]acetate
CID 102278641
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbaldehyde
CID 174709494
N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide
CID 155901238
methyl 1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 12789154
methyl (1S,3R)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 54222807
methyl (1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 754468
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
ethyl (1S,3S)-1-(2-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 170695108
methyl (1R,3R)-1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 40535432

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide (CID 132606381) is 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide is CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](O)[C@@H]1CC(=O)NC.
What is the InChIKey of 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide?
The InChIKey is WDZCVJHPTUVXGU-GSDQYQHOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-8-13-11-6-4-5-7-14(11)19-16(13)17(21)12(10)9-15(20)18-2/h4-7,10,12,17,19,21H,3,8-9H2,1-2H3,(H,18,20)/t10-,12+,17+/m0/s1.
What are the key properties of 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide?
2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide has a molecular weight of 286.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3S)-3-ethyl-1-hydroxy-2,3,4,9-tetrahydro-1H-carbazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 132606381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).