3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

C22H19N3O2 — CID 135495779

IUPAC3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C22H19N3O2/c26-21-12-6-1-7-16(21)15-23-24-22(27)13-14-25-19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h1-12,15,26H,13-14H2,(H,24,27)/b23-15+
InChIKeyILUQAJIMKXNNPY-HZHRSRAPSA-N
MW357.41 g/mol
LogP4.04
Rot. Bonds5

About 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135495779) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135495779
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C22H19N3O2/c26-21-12-6-1-7-16(21)15-23-24-22(27)13-14-25-19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h1-12,15,26H,13-14H2,(H,24,27)/b23-15+
InChIKeyILUQAJIMKXNNPY-HZHRSRAPSA-N
XLogP4.04
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.04
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
CID 136847275
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136689088
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135613957
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 135495779) is 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is ILUQAJIMKXNNPY-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-12-6-1-7-16(21)15-23-24-22(27)13-14-25-19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h1-12,15,26H,13-14H2,(H,24,27)/b23-15+.
What are the key properties of 3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 357.41 g/mol, XLogP of 4.04, 5 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-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135495779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).