N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide

C28H28N4O2 — CID 90300464

IUPACN-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C28H28N4O2/c1-4-32-24-8-6-5-7-22(24)23-15-21(13-14-25(23)32)31-27(34)17-28(2,3)16-26(33)30-20-11-9-19(18-29)10-12-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyAWDLQRWCGUOKFJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP6.07
Rot. Bonds7

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

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide (PubChem CID 90300464) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
PubChem CID90300464
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C28H28N4O2/c1-4-32-24-8-6-5-7-22(24)23-15-21(13-14-25(23)32)31-27(34)17-28(2,3)16-26(33)30-20-11-9-19(18-29)10-12-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyAWDLQRWCGUOKFJ-UHFFFAOYSA-N
XLogP6.07
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
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
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
CID 4566264
N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23098781
[5-(4-cyanoanilino)-3-methyl-5-oxopentanoyl]-(9-ethylcarbazol-3-yl)-dimethylazanium
CID 90300539
5-(4-cyanoanilino)-3,3-dimethyl-5-oxopentanoate
CID 6930402
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-benzyl-N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 90300497

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide (CID 90300464) is N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3ccc(C#N)cc3)ccc21.
What is the InChIKey of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide?
The InChIKey is AWDLQRWCGUOKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-32-24-8-6-5-7-22(24)23-15-21(13-14-25(23)32)31-27(34)17-28(2,3)16-26(33)30-20-11-9-19(18-29)10-12-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide?
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide has a molecular weight of 452.56 g/mol, XLogP of 6.07, 7 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)-3,3-dimethylpentanediamide is sourced from PubChem (CID 90300464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).