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

C27H26N2O3 — CID 91545614

IUPAC[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(C(=O)c3ccc(C)cc3C)cc2c2cc(/C(C)=N\OC(C)=O)ccc21
InChIInChI=1S/C27H26N2O3/c1-6-29-25-11-8-20(18(4)28-32-19(5)30)14-23(25)24-15-21(9-12-26(24)29)27(31)22-10-7-16(2)13-17(22)3/h7-15H,6H2,1-5H3/b28-18-
InChIKeySOYPVISDCCVPCR-VEILYXNESA-N
MW426.52 g/mol
LogP5.95
Rot. Bonds5

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

[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate (PubChem CID 91545614) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
PubChem CID91545614
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(C(=O)c3ccc(C)cc3C)cc2c2cc(/C(C)=N\OC(C)=O)ccc21
InChIInChI=1S/C27H26N2O3/c1-6-29-25-11-8-20(18(4)28-32-19(5)30)14-23(25)24-15-21(9-12-26(24)29)27(31)22-10-7-16(2)13-17(22)3/h7-15H,6H2,1-5H3/b28-18-
InChIKeySOYPVISDCCVPCR-VEILYXNESA-N
XLogP5.95
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.95
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

[(E)-1-[6-(2,4-dimethylbenzoyl)-9-methylcarbazol-3-yl]ethylideneamino] acetate
CID 153428079
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
[1-[9-ethyl-6-(1-oxothiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 176654228
[(E)-1-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
(E)-3-[6-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-9-ethylcarbazol-3-yl]-2-methylprop-2-enoic acid
CID 88880581
[[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)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-(4-nitrophenyl)methylidene]amino] acetate
CID 134392058
[(E)-1-[9-ethyl-6-[hydroxy-(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 134602918
[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
CID 76569446
[(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 [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate (CID 91545614) is [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate is CCn1c2ccc(C(=O)c3ccc(C)cc3C)cc2c2cc(/C(C)=N\OC(C)=O)ccc21.
What is the InChIKey of [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate?
The InChIKey is SOYPVISDCCVPCR-VEILYXNESA-N. The full InChI is InChI=1S/C27H26N2O3/c1-6-29-25-11-8-20(18(4)28-32-19(5)30)14-23(25)24-15-21(9-12-26(24)29)27(31)22-10-7-16(2)13-17(22)3/h7-15H,6H2,1-5H3/b28-18-.
What are the key properties of [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate?
[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate has a molecular weight of 426.52 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 91545614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).