[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

C26H24N2O3 — CID 87223594

IUPAC[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(CC=NOC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C26H24N2O3/c1-4-28-24-11-9-19(13-14-27-31-18(3)29)15-22(24)23-16-20(10-12-25(23)28)26(30)21-8-6-5-7-17(21)2/h5-12,14-16H,4,13H2,1-3H3
InChIKeyIPDOQMHPLGLWIR-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.45
Rot. Bonds6

About [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate

[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate (PubChem CID 87223594) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
PubChem CID87223594
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SMILESCCn1c2ccc(CC=NOC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C26H24N2O3/c1-4-28-24-11-9-19(13-14-27-31-18(3)29)15-22(24)23-16-20(10-12-25(23)28)26(30)21-8-6-5-7-17(21)2/h5-12,14-16H,4,13H2,1-3H3
InChIKeyIPDOQMHPLGLWIR-UHFFFAOYSA-N
XLogP5.45
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.45
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

[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
CID 76569446
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
[[3-[(4-bromophenyl)methylsulfanyl]-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxopropan-2-ylidene]amino] acetate
CID 76668610
[[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 123819915
[9-ethyl-6-(thiolan-1-ium-1-ylmethyl)carbazol-3-yl]-(2-methylphenyl)methanone
CID 59664422
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 87235577
[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-(4-nitrophenyl)methylidene]amino] acetate
CID 134392058
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]hex-4-ynylideneamino] acetate
CID 58122004
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-ynylideneamino] acetate;prop-1-ene
CID 143868635
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271

Frequently Asked Questions

What is the IUPAC name of [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The IUPAC name of [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate (CID 87223594) is [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate.
What is the SMILES notation for [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The canonical SMILES for [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate is CCn1c2ccc(CC=NOC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
The InChIKey is IPDOQMHPLGLWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-28-24-11-9-19(13-14-27-31-18(3)29)15-22(24)23-16-20(10-12-25(23)28)26(30)21-8-6-5-7-17(21)2/h5-12,14-16H,4,13H2,1-3H3.
What are the key properties of [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate?
[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate has a molecular weight of 412.49 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate is sourced from PubChem (CID 87223594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).