3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide

C23H21N3O3 — CID 6865680

IUPAC3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1O
InChIInChI=1S/C23H21N3O3/c1-29-22-11-10-16(14-21(22)27)15-24-25-23(28)12-13-26-19-8-4-2-6-17(19)18-7-3-5-9-20(18)26/h2-11,14-15,27H,12-13H2,1H3,(H,25,28)/b24-15+
InChIKeyCXMBHGPYRUWOBB-BUVRLJJBSA-N
MW387.44 g/mol
LogP4.05
Rot. Bonds6

About 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide

3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide (PubChem CID 6865680) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
PubChem CID6865680
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1O
InChIInChI=1S/C23H21N3O3/c1-29-22-11-10-16(14-21(22)27)15-24-25-23(28)12-13-26-19-8-4-2-6-17(19)18-7-3-5-9-20(18)26/h2-11,14-15,27H,12-13H2,1H3,(H,25,28)/b24-15+
InChIKeyCXMBHGPYRUWOBB-BUVRLJJBSA-N
XLogP4.05
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide (CID 6865680) is 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide is COc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1O.
What is the InChIKey of 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is CXMBHGPYRUWOBB-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-22-11-10-16(14-21(22)27)15-24-25-23(28)12-13-26-19-8-4-2-6-17(19)18-7-3-5-9-20(18)26/h2-11,14-15,27H,12-13H2,1H3,(H,25,28)/b24-15+.
What are the key properties of 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide?
3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 387.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6865680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).