N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C24H28N2O2 — CID 18292641

IUPACN-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C24H28N2O2/c1-17-8-10-22-20(14-17)21-15-19(9-11-23(21)25-22)24(27)26(12-13-28-2)16-18-6-4-3-5-7-18/h3-7,9,11,15,17,25H,8,10,12-14,16H2,1-2H3
InChIKeyCJKBCBGYXDLNKQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.58
Rot. Bonds6

About N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 18292641) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID18292641
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C24H28N2O2/c1-17-8-10-22-20(14-17)21-15-19(9-11-23(21)25-22)24(27)26(12-13-28-2)16-18-6-4-3-5-7-18/h3-7,9,11,15,17,25H,8,10,12-14,16H2,1-2H3
InChIKeyCJKBCBGYXDLNKQ-UHFFFAOYSA-N
XLogP4.58
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
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,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 45355617
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
methyl 2-[2-methoxyethyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetate
CID 71931226
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203560
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24661539
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 18292641) is N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COCCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is CJKBCBGYXDLNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-8-10-22-20(14-17)21-15-19(9-11-23(21)25-22)24(27)26(12-13-28-2)16-18-6-4-3-5-7-18/h3-7,9,11,15,17,25H,8,10,12-14,16H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 18292641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).