N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide

C22H24N2O2 — CID 113097076

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)Cc1ccc(C)cc1)CC3
InChIInChI=1S/C22H24N2O2/c1-14-3-5-15(6-4-14)11-22(25)23-16-7-9-20-18(12-16)19-13-17(26-2)8-10-21(19)24-20/h3-6,8,10,13,16,24H,7,9,11-12H2,1-2H3,(H,23,25)
InChIKeyBHTZDPLIPPXCDC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.70
Rot. Bonds4

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 113097076) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID113097076
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NC(=O)Cc1ccc(C)cc1)CC3
InChIInChI=1S/C22H24N2O2/c1-14-3-5-15(6-4-14)11-22(25)23-16-7-9-20-18(12-16)19-13-17(26-2)8-10-21(19)24-20/h3-6,8,10,13,16,24H,7,9,11-12H2,1-2H3,(H,23,25)
InChIKeyBHTZDPLIPPXCDC-UHFFFAOYSA-N
XLogP3.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 113097150
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039
2-[(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 91352168
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide (CID 113097076) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide is COc1ccc2[nH]c3c(c2c1)CC(NC(=O)Cc1ccc(C)cc1)CC3.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is BHTZDPLIPPXCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-3-5-15(6-4-14)11-22(25)23-16-7-9-20-18(12-16)19-13-17(26-2)8-10-21(19)24-20/h3-6,8,10,13,16,24H,7,9,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113097076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).