N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide

C21H23N3O — CID 84613109

IUPACN-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
SMILESCC1CCCc2c1n(C)c1c(C(=O)Nc3cccc(N)c3)cccc21
InChIInChI=1S/C21H23N3O/c1-13-6-3-9-16-17-10-5-11-18(20(17)24(2)19(13)16)21(25)23-15-8-4-7-14(22)12-15/h4-5,7-8,10-13H,3,6,9,22H2,1-2H3,(H,23,25)
InChIKeySULDIRSGPARBAW-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.45
Rot. Bonds2

About N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide

N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide (PubChem CID 84613109) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
PubChem CID84613109
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
SMILESCC1CCCc2c1n(C)c1c(C(=O)Nc3cccc(N)c3)cccc21
InChIInChI=1S/C21H23N3O/c1-13-6-3-9-16-17-10-5-11-18(20(17)24(2)19(13)16)21(25)23-15-8-4-7-14(22)12-15/h4-5,7-8,10-13H,3,6,9,22H2,1-2H3,(H,23,25)
InChIKeySULDIRSGPARBAW-UHFFFAOYSA-N
XLogP4.45
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
The IUPAC name of N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide (CID 84613109) is N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide is CC1CCCc2c1n(C)c1c(C(=O)Nc3cccc(N)c3)cccc21.
What is the InChIKey of N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
The InChIKey is SULDIRSGPARBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-6-3-9-16-17-10-5-11-18(20(17)24(2)19(13)16)21(25)23-15-8-4-7-14(22)12-15/h4-5,7-8,10-13H,3,6,9,22H2,1-2H3,(H,23,25).
What are the key properties of N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide is sourced from PubChem (CID 84613109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).