3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide

C25H23N3O2 — CID 136847275

IUPAC3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
SMILESC=CCc1ccc(/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)c(O)c1
InChIInChI=1S/C25H23N3O2/c1-2-7-18-12-13-19(24(29)16-18)17-26-27-25(30)14-15-28-22-10-5-3-8-20(22)21-9-4-6-11-23(21)28/h2-6,8-13,16-17,29H,1,7,14-15H2,(H,27,30)/b26-17-
InChIKeyGCZPTRSARXHYIK-ONUIUJJFSA-N
MW397.48 g/mol
LogP4.77
Rot. Bonds7

About 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide

3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide (PubChem CID 136847275) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
PubChem CID136847275
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
SMILESC=CCc1ccc(/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)c(O)c1
InChIInChI=1S/C25H23N3O2/c1-2-7-18-12-13-19(24(29)16-18)17-26-27-25(30)14-15-28-22-10-5-3-8-20(22)21-9-4-6-11-23(21)28/h2-6,8-13,16-17,29H,1,7,14-15H2,(H,27,30)/b26-17-
InChIKeyGCZPTRSARXHYIK-ONUIUJJFSA-N
XLogP4.77
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide
CID 136896451
3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135613957
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136689088
3-carbazol-9-yl-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]propanamide
CID 6311614
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135554404
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888778

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide (CID 136847275) is 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide is C=CCc1ccc(/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)c(O)c1.
What is the InChIKey of 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide?
The InChIKey is GCZPTRSARXHYIK-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-7-18-12-13-19(24(29)16-18)17-26-27-25(30)14-15-28-22-10-5-3-8-20(22)21-9-4-6-11-23(21)28/h2-6,8-13,16-17,29H,1,7,14-15H2,(H,27,30)/b26-17-.
What are the key properties of 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide?
3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 136847275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).