N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide

C25H22N4O2 — CID 90300485

IUPACN-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C25H22N4O2/c1-2-29-22-6-4-3-5-20(22)21-15-19(11-12-23(21)29)28-25(31)14-13-24(30)27-18-9-7-17(16-26)8-10-18/h3-12,15H,2,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyJPMOPOSAUITKLK-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.04
Rot. Bonds6

About N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide (PubChem CID 90300485) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
PubChem CID90300485
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C25H22N4O2/c1-2-29-22-6-4-3-5-20(22)21-15-19(11-12-23(21)29)28-25(31)14-13-24(30)27-18-9-7-17(16-26)8-10-18/h3-12,15H,2,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyJPMOPOSAUITKLK-UHFFFAOYSA-N
XLogP5.04
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 86729719
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577
[5-(4-cyanoanilino)-3-methyl-5-oxopentanoyl]-(9-ethylcarbazol-3-yl)-dimethylazanium
CID 90300539
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide (CID 90300485) is N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide is CCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(C#N)cc3)ccc21.
What is the InChIKey of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide?
The InChIKey is JPMOPOSAUITKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-2-29-22-6-4-3-5-20(22)21-15-19(11-12-23(21)29)28-25(31)14-13-24(30)27-18-9-7-17(16-26)8-10-18/h3-12,15H,2,13-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide?
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide has a molecular weight of 410.48 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide is sourced from PubChem (CID 90300485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).