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

C26H26N2O3 — CID 134602918

IUPAC[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(/C(C)=N/OC(C)=O)cc2c2cc(C(O)c3ccccc3C)ccc21
InChIInChI=1S/C26H26N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15,26,30H,5H2,1-4H3/b27-17+
InChIKeyVLHMNABEEKRTKJ-WPWMEQJKSA-N
MW414.51 g/mol
LogP5.49
Rot. Bonds5

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

[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate (PubChem CID 134602918) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
PubChem CID134602918
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(/C(C)=N/OC(C)=O)cc2c2cc(C(O)c3ccccc3C)ccc21
InChIInChI=1S/C26H26N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15,26,30H,5H2,1-4H3/b27-17+
InChIKeyVLHMNABEEKRTKJ-WPWMEQJKSA-N
XLogP5.49
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 87235577
[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-hydroxybutan-2-ylidene]amino] acetate
CID 138510789
[(E)-[(5E)-5-acetyloxyimino-1-[9-ethyl-6-[hydroxy(thiophen-2-yl)methyl]carbazol-3-yl]-5-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]pentylidene]amino] acetate
CID 166654186
[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 176654228
3-ethyl-6-[hydroxy-(2-methylphenyl)methyl]-1,3-benzoxazol-2-one
CID 62301115
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-(4-nitrophenyl)methylidene]amino] acetate
CID 134392058
[(Z)-[3-[acetyl(acetyloxy)amino]-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-3-(4-propan-2-ylphenyl)propylidene]amino] acetate
CID 102380311
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]hex-4-ynylideneamino] acetate
CID 58122004

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate (CID 134602918) is [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate is CCn1c2ccc(/C(C)=N/OC(C)=O)cc2c2cc(C(O)c3ccccc3C)ccc21.
What is the InChIKey of [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is VLHMNABEEKRTKJ-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15,26,30H,5H2,1-4H3/b27-17+.
What are the key properties of [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate?
[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 414.51 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 134602918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).