N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide

C23H21N3O — CID 6868987

IUPACN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide
SMILESCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3C)ccc21
InChIInChI=1S/C23H21N3O/c1-3-26-21-11-7-6-10-19(21)20-14-17(12-13-22(20)26)15-24-25-23(27)18-9-5-4-8-16(18)2/h4-15H,3H2,1-2H3,(H,25,27)/b24-15+
InChIKeyNYLXNQHCXNOBQX-BUVRLJJBSA-N
MW355.44 g/mol
LogP4.89
Rot. Bonds4

About N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide (PubChem CID 6868987) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide
PubChem CID6868987
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide
SMILESCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3C)ccc21
InChIInChI=1S/C23H21N3O/c1-3-26-21-11-7-6-10-19(21)20-14-17(12-13-22(20)26)15-24-25-23(27)18-9-5-4-8-16(18)2/h4-15H,3H2,1-2H3,(H,25,27)/b24-15+
InChIKeyNYLXNQHCXNOBQX-BUVRLJJBSA-N
XLogP4.89
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide (CID 6868987) is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide is CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3C)ccc21.
What is the InChIKey of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide?
The InChIKey is NYLXNQHCXNOBQX-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-26-21-11-7-6-10-19(21)20-14-17(12-13-22(20)26)15-24-25-23(27)18-9-5-4-8-16(18)2/h4-15H,3H2,1-2H3,(H,25,27)/b24-15+.
What are the key properties of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide?
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 6868987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).