methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate

C24H20N2O3 — CID 1099137

IUPACmethyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-26-21-11-7-6-10-18(21)19-14-16(12-13-22(19)26)15-20(24(28)29-2)25-23(27)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,27)/b20-15+
InChIKeyZHLXMOCANFFGJO-HMMYKYKNSA-N
MW384.44 g/mol
LogP4.28
Rot. Bonds4

About methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate

methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate (PubChem CID 1099137) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate
PubChem CID1099137
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Namemethyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate
SMILESCOC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-26-21-11-7-6-10-18(21)19-14-16(12-13-22(19)26)15-20(24(28)29-2)25-23(27)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,27)/b20-15+
InChIKeyZHLXMOCANFFGJO-HMMYKYKNSA-N
XLogP4.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate?
The IUPAC name of methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate (CID 1099137) is methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate is COC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1.
What is the InChIKey of methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate?
The InChIKey is ZHLXMOCANFFGJO-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-26-21-11-7-6-10-18(21)19-14-16(12-13-22(19)26)15-20(24(28)29-2)25-23(27)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,25,27)/b20-15+.
What are the key properties of methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate?
methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate has a molecular weight of 384.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoate is sourced from PubChem (CID 1099137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).