3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

C25H25N3O4 — CID 6866140

IUPAC3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-30-22-14-17(15-23(31-2)25(22)32-3)16-26-27-24(29)12-13-28-20-10-6-4-8-18(20)19-9-5-7-11-21(19)28/h4-11,14-16H,12-13H2,1-3H3,(H,27,29)/b26-16+
InChIKeyHRFJQIOKKUYKAI-WGOQTCKBSA-N
MW431.49 g/mol
LogP4.36
Rot. Bonds8

About 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide (PubChem CID 6866140) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
PubChem CID6866140
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C25H25N3O4/c1-30-22-14-17(15-23(31-2)25(22)32-3)16-26-27-24(29)12-13-28-20-10-6-4-8-18(20)19-9-5-7-11-21(19)28/h4-11,14-16H,12-13H2,1-3H3,(H,27,29)/b26-16+
InChIKeyHRFJQIOKKUYKAI-WGOQTCKBSA-N
XLogP4.36
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide (CID 6866140) is 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide is COc1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is HRFJQIOKKUYKAI-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-30-22-14-17(15-23(31-2)25(22)32-3)16-26-27-24(29)12-13-28-20-10-6-4-8-18(20)19-9-5-7-11-21(19)28/h4-11,14-16H,12-13H2,1-3H3,(H,27,29)/b26-16+.
What are the key properties of 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 431.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6866140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).