N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide

C20H28N2O2 — CID 163585255

IUPACN'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide
SMILESCCC1C=CC(NC(=O)CCC(=O)NC(C)(C)C)=C2C=CC=CC21
InChIInChI=1S/C20H28N2O2/c1-5-14-10-11-17(16-9-7-6-8-15(14)16)21-18(23)12-13-19(24)22-20(2,3)4/h6-11,14-15H,5,12-13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyGKYIRZAKEBGFPD-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.39
Rot. Bonds5

About N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide

N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide (PubChem CID 163585255) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide
PubChem CID163585255
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide
SMILESCCC1C=CC(NC(=O)CCC(=O)NC(C)(C)C)=C2C=CC=CC21
InChIInChI=1S/C20H28N2O2/c1-5-14-10-11-17(16-9-7-6-8-15(14)16)21-18(23)12-13-19(24)22-20(2,3)4/h6-11,14-15H,5,12-13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyGKYIRZAKEBGFPD-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide?
The IUPAC name of N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide (CID 163585255) is N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide.
What is the SMILES notation for N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide?
The canonical SMILES for N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide is CCC1C=CC(NC(=O)CCC(=O)NC(C)(C)C)=C2C=CC=CC21.
What is the InChIKey of N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide?
The InChIKey is GKYIRZAKEBGFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-14-10-11-17(16-9-7-6-8-15(14)16)21-18(23)12-13-19(24)22-20(2,3)4/h6-11,14-15H,5,12-13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide?
N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide has a molecular weight of 328.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-ethyl-4,4a-dihydronaphthalen-1-yl)butanediamide is sourced from PubChem (CID 163585255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).