9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide

C30H32N2O — CID 154688234

IUPAC9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCc3c(c4ccccc4n3Cc3cc(C)ccc3C)C2)c1
InChIInChI=1S/C30H32N2O/c1-20-7-6-8-23(15-20)18-31-30(33)24-13-14-29-27(17-24)26-9-4-5-10-28(26)32(29)19-25-16-21(2)11-12-22(25)3/h4-12,15-16,24H,13-14,17-19H2,1-3H3,(H,31,33)
InChIKeyFMDPMOFRRXXMOY-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.04
Rot. Bonds5

About 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide

9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide (PubChem CID 154688234) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
PubChem CID154688234
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCc3c(c4ccccc4n3Cc3cc(C)ccc3C)C2)c1
InChIInChI=1S/C30H32N2O/c1-20-7-6-8-23(15-20)18-31-30(33)24-13-14-29-27(17-24)26-9-4-5-10-28(26)32(29)19-25-16-21(2)11-12-22(25)3/h4-12,15-16,24H,13-14,17-19H2,1-3H3,(H,31,33)
InChIKeyFMDPMOFRRXXMOY-UHFFFAOYSA-N
XLogP6.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.04
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

9-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688122
9-[(2,5-dimethylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 164781397
N-[(2-methylphenyl)methyl]-9-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688045
(3S)-9-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 159511691
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
(3S)-N-(2,3-dimethylphenyl)-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688230
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 20886929
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309

Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide (CID 154688234) is 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide is Cc1cccc(CNC(=O)C2CCc3c(c4ccccc4n3Cc3cc(C)ccc3C)C2)c1.
What is the InChIKey of 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The InChIKey is FMDPMOFRRXXMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-20-7-6-8-23(15-20)18-31-30(33)24-13-14-29-27(17-24)26-9-4-5-10-28(26)32(29)19-25-16-21(2)11-12-22(25)3/h4-12,15-16,24H,13-14,17-19H2,1-3H3,(H,31,33).
What are the key properties of 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-dimethylphenyl)methyl]-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 154688234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).