6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C19H26N2O — CID 113204140

IUPAC6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCCCCNC(=O)C1CCc2[nH]c3ccc(C)cc3c2C1
InChIInChI=1S/C19H26N2O/c1-3-4-5-10-20-19(22)14-7-9-18-16(12-14)15-11-13(2)6-8-17(15)21-18/h6,8,11,14,21H,3-5,7,9-10,12H2,1-2H3,(H,20,22)
InChIKeyBLPWKEJFZRQYMW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.89
Rot. Bonds5

About 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113204140) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113204140
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCCCCNC(=O)C1CCc2[nH]c3ccc(C)cc3c2C1
InChIInChI=1S/C19H26N2O/c1-3-4-5-10-20-19(22)14-7-9-18-16(12-14)15-11-13(2)6-8-17(15)21-18/h6,8,11,14,21H,3-5,7,9-10,12H2,1-2H3,(H,20,22)
InChIKeyBLPWKEJFZRQYMW-UHFFFAOYSA-N
XLogP3.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204107
N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204168
ethyl 4-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 113204130
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203979
6-methoxy-N-(2-morpholin-4-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203943
N-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203527

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113204140) is 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CCCCCNC(=O)C1CCc2[nH]c3ccc(C)cc3c2C1.
What is the InChIKey of 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is BLPWKEJFZRQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-4-5-10-20-19(22)14-7-9-18-16(12-14)15-11-13(2)6-8-17(15)21-18/h6,8,11,14,21H,3-5,7,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113204140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).