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

C25H22N2O3 — CID 76569446

IUPAC[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
SMILESCCn1c2ccc(C=NOC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C25H22N2O3/c1-4-27-23-11-9-18(15-26-30-17(3)28)13-21(23)22-14-19(10-12-24(22)27)25(29)20-8-6-5-7-16(20)2/h5-15H,4H2,1-3H3
InChIKeyMOWMVCHXVSDRLU-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.25
Rot. Bonds5

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

[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate (PubChem CID 76569446) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate.

Molecular Properties

Compound Name[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
PubChem CID76569446
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate
SMILESCCn1c2ccc(C=NOC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21
InChIInChI=1S/C25H22N2O3/c1-4-27-23-11-9-18(15-26-30-17(3)28)13-21(23)22-14-19(10-12-24(22)27)25(29)20-8-6-5-7-16(20)2/h5-15H,4H2,1-3H3
InChIKeyMOWMVCHXVSDRLU-UHFFFAOYSA-N
XLogP5.25
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.25
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'}

Analyze [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate with MolForge

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Related Compounds

[2-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 87223594
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]hex-4-ynylideneamino] acetate
CID 58122004
[[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
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pent-4-en-1-one
CID 167229658
[(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
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[6-[(E)-C-but-3-enyl-N-methoxycarbonimidoyl]-9-ethylcarbazol-3-yl]-(2-methylphenyl)methanone
CID 167229657
[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614

Frequently Asked Questions

What is the IUPAC name of [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate?
The IUPAC name of [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate (CID 76569446) is [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate.
What is the SMILES notation for [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate?
The canonical SMILES for [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate is CCn1c2ccc(C=NOC(C)=O)cc2c2cc(C(=O)c3ccccc3C)ccc21.
What is the InChIKey of [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate?
The InChIKey is MOWMVCHXVSDRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-4-27-23-11-9-18(15-26-30-17(3)28)13-21(23)22-14-19(10-12-24(22)27)25(29)20-8-6-5-7-16(20)2/h5-15H,4H2,1-3H3.
What are the key properties of [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate?
[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate has a molecular weight of 398.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]methylideneamino] acetate is sourced from PubChem (CID 76569446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).