[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate

C28H26N2O5 — CID 88591619

IUPAC[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)/C(=N/OC(=O)C(C)(C)O)CO3
InChIInChI=1S/C28H26N2O5/c1-5-30-22-12-10-17(25(31)18-9-7-6-8-16(18)2)14-20(22)24-23(30)13-11-19-21(15-34-26(19)24)29-35-27(32)28(3,4)33/h6-14,33H,5,15H2,1-4H3/b29-21+
InChIKeyPIRSIJDUQVIGKG-XHLNEMQHSA-N
MW470.53 g/mol
LogP4.76
Rot. Bonds5

About [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate

[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate (PubChem CID 88591619) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate
PubChem CID88591619
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate
SMILESCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)/C(=N/OC(=O)C(C)(C)O)CO3
InChIInChI=1S/C28H26N2O5/c1-5-30-22-12-10-17(25(31)18-9-7-6-8-16(18)2)14-20(22)24-23(30)13-11-19-21(15-34-26(19)24)29-35-27(32)28(3,4)33/h6-14,33H,5,15H2,1-4H3/b29-21+
InChIKeyPIRSIJDUQVIGKG-XHLNEMQHSA-N
XLogP4.76
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate?
The IUPAC name of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate (CID 88591619) is [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate?
The canonical SMILES for [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)/C(=N/OC(=O)C(C)(C)O)CO3.
What is the InChIKey of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate?
The InChIKey is PIRSIJDUQVIGKG-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-5-30-22-12-10-17(25(31)18-9-7-6-8-16(18)2)14-20(22)24-23(30)13-11-19-21(15-34-26(19)24)29-35-27(32)28(3,4)33/h6-14,33H,5,15H2,1-4H3/b29-21+.
What are the key properties of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate?
[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate has a molecular weight of 470.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 88591619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).