N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide

C19H26N2O — CID 4164736

IUPACN-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
SMILESO=C(Nc1ccccc1)N1C2CCCCC2C2CCCCC21
InChIInChI=1S/C19H26N2O/c22-19(20-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21/h1-3,8-9,15-18H,4-7,10-13H2,(H,20,22)
InChIKeyXGRJMGZJJGBBQL-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.65
Rot. Bonds1

About N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide

N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide (PubChem CID 4164736) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
PubChem CID4164736
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide
SMILESO=C(Nc1ccccc1)N1C2CCCCC2C2CCCCC21
InChIInChI=1S/C19H26N2O/c22-19(20-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21/h1-3,8-9,15-18H,4-7,10-13H2,(H,20,22)
InChIKeyXGRJMGZJJGBBQL-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide with MolForge

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Related Compounds

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(1S,5S,9S)-2-N,6-N,10-N-triphenyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide?
The IUPAC name of N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide (CID 4164736) is N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide.
What is the SMILES notation for N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide?
The canonical SMILES for N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide is O=C(Nc1ccccc1)N1C2CCCCC2C2CCCCC21.
What is the InChIKey of N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide?
The InChIKey is XGRJMGZJJGBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(20-14-8-2-1-3-9-14)21-17-12-6-4-10-15(17)16-11-5-7-13-18(16)21/h1-3,8-9,15-18H,4-7,10-13H2,(H,20,22).
What are the key properties of N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide?
N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carboxamide is sourced from PubChem (CID 4164736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).