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

C23H21N3O2 — CID 6888594

IUPAC3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C23H21N3O2/c1-28-18-8-6-7-17(15-18)16-24-25-23(27)13-14-26-21-11-4-2-9-19(21)20-10-3-5-12-22(20)26/h2-12,15-16H,13-14H2,1H3,(H,25,27)/b24-16+
InChIKeyBXSYFYNOHOROMX-LFVJCYFKSA-N
MW371.44 g/mol
LogP4.34
Rot. Bonds6

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

3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 6888594) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
PubChem CID6888594
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1cccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C23H21N3O2/c1-28-18-8-6-7-17(15-18)16-24-25-23(27)13-14-26-21-11-4-2-9-19(21)20-10-3-5-12-22(20)26/h2-12,15-16H,13-14H2,1H3,(H,25,27)/b24-16+
InChIKeyBXSYFYNOHOROMX-LFVJCYFKSA-N
XLogP4.34
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide (CID 6888594) is 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide is COc1cccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is BXSYFYNOHOROMX-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-18-8-6-7-17(15-18)16-24-25-23(27)13-14-26-21-11-4-2-9-19(21)20-10-3-5-12-22(20)26/h2-12,15-16H,13-14H2,1H3,(H,25,27)/b24-16+.
What are the key properties of 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide?
3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 371.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6888594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).