2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide

C29H23N3O2 — CID 3473107

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)ccc21
InChIInChI=1S/C29H23N3O2/c1-2-32-27-6-4-3-5-25(27)26-17-23(13-16-28(26)32)31-29(33)19-34-24-14-11-22(12-15-24)21-9-7-20(18-30)8-10-21/h3-17H,2,19H2,1H3,(H,31,33)
InChIKeyMZQNEWQBGAPYIX-UHFFFAOYSA-N
MW445.52 g/mol
LogP6.37
Rot. Bonds6

About 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 3473107) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID3473107
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)ccc21
InChIInChI=1S/C29H23N3O2/c1-2-32-27-6-4-3-5-25(27)26-17-23(13-16-28(26)32)31-29(33)19-34-24-14-11-22(12-15-24)21-9-7-20(18-30)8-10-21/h3-17H,2,19H2,1H3,(H,31,33)
InChIKeyMZQNEWQBGAPYIX-UHFFFAOYSA-N
XLogP6.37
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 30129148
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 86729719
N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 21167732
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide (CID 3473107) is 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)ccc21.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is MZQNEWQBGAPYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2/c1-2-32-27-6-4-3-5-25(27)26-17-23(13-16-28(26)32)31-29(33)19-34-24-14-11-22(12-15-24)21-9-7-20(18-30)8-10-21/h3-17H,2,19H2,1H3,(H,31,33).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 3473107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).