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

C18H23N3O2 — CID 41090432

IUPAC(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3
InChIInChI=1S/C18H23N3O2/c1-11-3-5-16-14(9-11)15-10-13(4-6-17(15)21-16)18(23)20-8-7-19-12(2)22/h4,6,10-11,21H,3,5,7-9H2,1-2H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyBZAUQHKHSNQYIW-LLVKDONJSA-N
MW313.40 g/mol
LogP2.16
Rot. Bonds4

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

(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 41090432) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID41090432
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3
InChIInChI=1S/C18H23N3O2/c1-11-3-5-16-14(9-11)15-10-13(4-6-17(15)21-16)18(23)20-8-7-19-12(2)22/h4,6,10-11,21H,3,5,7-9H2,1-2H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyBZAUQHKHSNQYIW-LLVKDONJSA-N
XLogP2.16
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2114335
6-methyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4786373
(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 9119789
(6S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26447575
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 36922905
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
[1-oxo-1-(propylamino)propan-2-yl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 45351677
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 41090432) is (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC(=O)NCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3.
What is the InChIKey of (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is BZAUQHKHSNQYIW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-3-5-16-14(9-11)15-10-13(4-6-17(15)21-16)18(23)20-8-7-19-12(2)22/h4,6,10-11,21H,3,5,7-9H2,1-2H3,(H,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 41090432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).