N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide

C22H19N3O3 — CID 1011382

IUPACN-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)cc(O)c3)ccc21
InChIInChI=1S/C22H19N3O3/c1-2-25-20-6-4-3-5-18(20)19-9-14(7-8-21(19)25)13-23-24-22(28)15-10-16(26)12-17(27)11-15/h3-13,26-27H,2H2,1H3,(H,24,28)
InChIKeyYKZKTWGFZSNIJY-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.99
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide

N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide (PubChem CID 1011382) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
PubChem CID1011382
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)cc(O)c3)ccc21
InChIInChI=1S/C22H19N3O3/c1-2-25-20-6-4-3-5-18(20)19-9-14(7-8-21(19)25)13-23-24-22(28)15-10-16(26)12-17(27)11-15/h3-13,26-27H,2H2,1H3,(H,24,28)
InChIKeyYKZKTWGFZSNIJY-UHFFFAOYSA-N
XLogP3.99
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.99
H-Bond Donors ≤ 53
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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Related Compounds

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5172724
N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 92847405
3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide
CID 25237250
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 3506862
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide (CID 1011382) is N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide is CCn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)cc(O)c3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide?
The InChIKey is YKZKTWGFZSNIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-25-20-6-4-3-5-18(20)19-9-14(7-8-21(19)25)13-23-24-22(28)15-10-16(26)12-17(27)11-15/h3-13,26-27H,2H2,1H3,(H,24,28).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide?
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide is sourced from PubChem (CID 1011382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).