3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide

C24H21I2N3O2 — CID 6084127

IUPAC3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
SMILESCCOc1ccccc1/C=N\NC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21
InChIInChI=1S/C24H21I2N3O2/c1-2-31-23-6-4-3-5-16(23)15-27-28-24(30)11-12-29-21-9-7-17(25)13-19(21)20-14-18(26)8-10-22(20)29/h3-10,13-15H,2,11-12H2,1H3,(H,28,30)/b27-15-
InChIKeyGYLLKSKZCQRNOU-DICXZTSXSA-N
MW637.26 g/mol
LogP5.94
Rot. Bonds7

About 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide

3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide (PubChem CID 6084127) has the molecular formula C24H21I2N3O2 and a molecular weight of 637.26 g/mol. Its IUPAC name is 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
PubChem CID6084127
Molecular FormulaC24H21I2N3O2
Molecular Weight637.26 g/mol
Exact Mass636.97
IUPAC Name3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
SMILESCCOc1ccccc1/C=N\NC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21
InChIInChI=1S/C24H21I2N3O2/c1-2-31-23-6-4-3-5-16(23)15-27-28-24(30)11-12-29-21-9-7-17(25)13-19(21)20-14-18(26)8-10-22(20)29/h3-10,13-15H,2,11-12H2,1H3,(H,28,30)/b27-15-
InChIKeyGYLLKSKZCQRNOU-DICXZTSXSA-N
XLogP5.94
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.26
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 4681398
3-(3,6-diiodocarbazol-9-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135554404
3-(3,6-diiodocarbazol-9-yl)-N-[(4-fluorophenyl)methylideneamino]propanamide
CID 3618962
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
CID 6256527
3-(benzotriazol-1-yl)-N-[(2-ethoxyphenyl)methylideneamino]propanamide
CID 742329
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6382683
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N-(2,5-dimethylphenyl)-N'-[(2-ethoxyphenyl)methylideneamino]butanediamide
CID 3297111
N-[(Z)-2-(4-butoxyphenyl)ethylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
CID 6381347
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide (CID 6084127) is 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide is CCOc1ccccc1/C=N\NC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21.
What is the InChIKey of 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide?
The InChIKey is GYLLKSKZCQRNOU-DICXZTSXSA-N. The full InChI is InChI=1S/C24H21I2N3O2/c1-2-31-23-6-4-3-5-16(23)15-27-28-24(30)11-12-29-21-9-7-17(25)13-19(21)20-14-18(26)8-10-22(20)29/h3-10,13-15H,2,11-12H2,1H3,(H,28,30)/b27-15-.
What are the key properties of 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide?
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide has a molecular weight of 637.26 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6084127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).