N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide

C19H25N3O2 — CID 71276477

IUPACN-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
SMILESCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCCN)cc23)C1=O
InChIInChI=1S/C19H25N3O2/c1-18(2)10-19(3,4)16(23)15-14(18)12-9-11(5-6-13(12)22-15)17(24)21-8-7-20/h5-6,9,22H,7-8,10,20H2,1-4H3,(H,21,24)
InChIKeyIKGOEWZEUXENHA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.75
Rot. Bonds3

About N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide

N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide (PubChem CID 71276477) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
PubChem CID71276477
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
SMILESCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCCN)cc23)C1=O
InChIInChI=1S/C19H25N3O2/c1-18(2)10-19(3,4)16(23)15-14(18)12-9-11(5-6-13(12)22-15)17(24)21-8-7-20/h5-6,9,22H,7-8,10,20H2,1-4H3,(H,21,24)
InChIKeyIKGOEWZEUXENHA-UHFFFAOYSA-N
XLogP2.75
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide (CID 71276477) is N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide is CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCCN)cc23)C1=O.
What is the InChIKey of N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
The InChIKey is IKGOEWZEUXENHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-18(2)10-19(3,4)16(23)15-14(18)12-9-11(5-6-13(12)22-15)17(24)21-8-7-20/h5-6,9,22H,7-8,10,20H2,1-4H3,(H,21,24).
What are the key properties of N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide?
N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide is sourced from PubChem (CID 71276477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).