[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate

C26H24N2O3 — CID 153428079

IUPAC[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccc(C)cc3C)ccc1n2C
InChIInChI=1S/C26H24N2O3/c1-15-6-9-21(16(2)12-15)26(30)20-8-11-25-23(14-20)22-13-19(7-10-24(22)28(25)5)17(3)27-31-18(4)29/h6-14H,1-5H3/b27-17+
InChIKeyVUVMDSWRMYHDOP-WPWMEQJKSA-N
MW412.49 g/mol
LogP5.47
Rot. Bonds4

About [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate

[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate (PubChem CID 153428079) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate
PubChem CID153428079
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccc(C)cc3C)ccc1n2C
InChIInChI=1S/C26H24N2O3/c1-15-6-9-21(16(2)12-15)26(30)20-8-11-25-23(14-20)22-13-19(7-10-24(22)28(25)5)17(3)27-31-18(4)29/h6-14H,1-5H3/b27-17+
InChIKeyVUVMDSWRMYHDOP-WPWMEQJKSA-N
XLogP5.47
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
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

[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[(E)-1-[6-(2-methylbenzoyl)-9-(4-nitrophenyl)carbazol-3-yl]ethylideneamino] acetate
CID 162463758
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 87235577
[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 176654228
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 76562821
[(E)-1-[9-[6-[2-[(Z)-N-acetyloxy-C-methylcarbonimidoyl]-8-oxothiochromeno[3,2-c]carbazol-5-yl]hexyl]-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144506753
[1-[6-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbenzoyl]-9-(4-octanoylphenyl)carbazol-3-yl]ethylideneamino] acetate
CID 172835723
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
[(E)-1-[6-amino-9-(3-methylbutyl)carbazol-3-yl]ethylideneamino] acetate
CID 88950524
[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-(4-nitrophenyl)methylidene]amino] acetate
CID 134392058

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate (CID 153428079) is [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate is CC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccc(C)cc3C)ccc1n2C.
What is the InChIKey of [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate?
The InChIKey is VUVMDSWRMYHDOP-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-15-6-9-21(16(2)12-15)26(30)20-8-11-25-23(14-20)22-13-19(7-10-24(22)28(25)5)17(3)27-31-18(4)29/h6-14H,1-5H3/b27-17+.
What are the key properties of [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate?
[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate has a molecular weight of 412.49 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 153428079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).