[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate

C28H24N2O6 — CID 156846404

IUPAC[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
SMILESCCn1c2ccc(C(=O)/C(C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21
InChIInChI=1S/C28H24N2O6/c1-5-30-25-12-8-20(27(33)16(2)29-36-18(4)32)14-23(25)24-15-21(9-13-26(24)30)28(34)19-6-10-22(11-7-19)35-17(3)31/h6-15H,5H2,1-4H3/b29-16+
InChIKeyWFDDNBBADNGGAV-MUFRIFMGSA-N
MW484.51 g/mol
LogP5.09
Rot. Bonds7

About [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate

[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate (PubChem CID 156846404) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
PubChem CID156846404
Molecular FormulaC28H24N2O6
Molecular Weight484.51 g/mol
Exact Mass484.16
IUPAC Name[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
SMILESCCn1c2ccc(C(=O)/C(C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21
InChIInChI=1S/C28H24N2O6/c1-5-30-25-12-8-20(27(33)16(2)29-36-18(4)32)14-23(25)24-15-21(9-13-26(24)30)28(34)19-6-10-22(11-7-19)35-17(3)31/h6-15H,5H2,1-4H3/b29-16+
InChIKeyWFDDNBBADNGGAV-MUFRIFMGSA-N
XLogP5.09
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate
CID 156846403
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846362
[4-[9-ethyl-6-[(2E)-2-methoxyiminohex-5-enoyl]carbazole-3-carbonyl]phenyl] acetate
CID 166731432
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] thiophene-2-carboxylate
CID 156846309
[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
CID 58490017
[1-(6-benzoyl-9-ethylcarbazol-3-yl)decylideneamino] acetate
CID 123957224
ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate
CID 166731435
[(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-[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]ethylideneamino] acetate
CID 89111826
[4-[9-ethyl-6-[(2E)-2-hydroxyiminoheptanoyl]carbazole-3-carbonyl]phenyl] heptanoate
CID 168727814
[1-(6-benzoyl-9-ethylcarbazol-3-yl)octa-2,4,6-triynylideneamino] acetate
CID 59148525

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate?
The IUPAC name of [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate (CID 156846404) is [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate is CCn1c2ccc(C(=O)/C(C)=N/OC(C)=O)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21.
What is the InChIKey of [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate?
The InChIKey is WFDDNBBADNGGAV-MUFRIFMGSA-N. The full InChI is InChI=1S/C28H24N2O6/c1-5-30-25-12-8-20(27(33)16(2)29-36-18(4)32)14-23(25)24-15-21(9-13-26(24)30)28(34)19-6-10-22(11-7-19)35-17(3)31/h6-15H,5H2,1-4H3/b29-16+.
What are the key properties of [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate?
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate has a molecular weight of 484.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate is sourced from PubChem (CID 156846404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).