N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide

C28H34N2O — CID 4301824

IUPACN-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc21
InChIInChI=1S/C28H34N2O/c1-5-30-22-9-7-6-8-20(22)21-12-19(10-11-23(21)30)29-24(31)28-16-25(2)13-26(3,17-28)15-27(4,14-25)18-28/h6-12H,5,13-18H2,1-4H3,(H,29,31)
InChIKeyMFVWQGMODRGDHG-UHFFFAOYSA-N
MW414.59 g/mol
LogP7.14
Rot. Bonds3

About N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide

N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 4301824) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide
PubChem CID4301824
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc21
InChIInChI=1S/C28H34N2O/c1-5-30-22-9-7-6-8-20(22)21-12-19(10-11-23(21)30)29-24(31)28-16-25(2)13-26(3,17-28)15-27(4,14-25)18-28/h6-12H,5,13-18H2,1-4H3,(H,29,31)
InChIKeyMFVWQGMODRGDHG-UHFFFAOYSA-N
XLogP7.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide (CID 4301824) is N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is MFVWQGMODRGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-5-30-22-9-7-6-8-20(22)21-12-19(10-11-23(21)30)29-24(31)28-16-25(2)13-26(3,17-28)15-27(4,14-25)18-28/h6-12H,5,13-18H2,1-4H3,(H,29,31).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide?
N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 4301824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).