[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate

C26H26N2O2 — CID 87235577

IUPAC[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(Cc3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21
InChIInChI=1S/C26H26N2O2/c1-5-28-25-12-10-20(14-21-9-7-6-8-17(21)2)15-23(25)24-16-22(11-13-26(24)28)18(3)27-30-19(4)29/h6-13,15-16H,5,14H2,1-4H3/b27-18+
InChIKeyRUKMWLJTEXFZQO-OVVQPSECSA-N
MW398.51 g/mol
LogP6.00
Rot. Bonds5

About [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate

[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate (PubChem CID 87235577) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
PubChem CID87235577
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(Cc3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21
InChIInChI=1S/C26H26N2O2/c1-5-28-25-12-10-20(14-21-9-7-6-8-17(21)2)15-23(25)24-16-22(11-13-26(24)28)18(3)27-30-19(4)29/h6-13,15-16H,5,14H2,1-4H3/b27-18+
InChIKeyRUKMWLJTEXFZQO-OVVQPSECSA-N
XLogP6.00
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate (CID 87235577) is [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate is CCn1c2ccc(Cc3ccccc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.
What is the InChIKey of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is RUKMWLJTEXFZQO-OVVQPSECSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-5-28-25-12-10-20(14-21-9-7-6-8-17(21)2)15-23(25)24-16-22(11-13-26(24)28)18(3)27-30-19(4)29/h6-13,15-16H,5,14H2,1-4H3/b27-18+.
What are the key properties of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 398.51 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 87235577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).