N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide

C20H38N2O2 — CID 23292854

IUPACN-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide
SMILESCCC(=O)NC1CC(NC(=O)CC)CC(C(C)(C)C)(C(C)(C)C)C1
InChIInChI=1S/C20H38N2O2/c1-9-16(23)21-14-11-15(22-17(24)10-2)13-20(12-14,18(3,4)5)19(6,7)8/h14-15H,9-13H2,1-8H3,(H,21,23)(H,22,24)
InChIKeyUISFYQOOSIVUMJ-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.04
Rot. Bonds4

About N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide

N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide (PubChem CID 23292854) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide
PubChem CID23292854
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC NameN-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide
SMILESCCC(=O)NC1CC(NC(=O)CC)CC(C(C)(C)C)(C(C)(C)C)C1
InChIInChI=1S/C20H38N2O2/c1-9-16(23)21-14-11-15(22-17(24)10-2)13-20(12-14,18(3,4)5)19(6,7)8/h14-15H,9-13H2,1-8H3,(H,21,23)(H,22,24)
InChIKeyUISFYQOOSIVUMJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide 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

carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)
CID 23292836
N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
[2,2,6,6-tetramethyl-4-(propanoylamino)piperidin-1-yl]oxidanium
CID 142022752
N-cyclooctylpropanamide
CID 3387497
N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
N-(3-cyanocyclobutyl)propanamide
CID 156794436
N-(3-aminocyclopentyl)propanamide
CID 83619264
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-pyrrolidin-3-ylpropanamide
CID 18337238

Frequently Asked Questions

What is the IUPAC name of N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide?
The IUPAC name of N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide (CID 23292854) is N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide.
What is the SMILES notation for N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide?
The canonical SMILES for N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide is CCC(=O)NC1CC(NC(=O)CC)CC(C(C)(C)C)(C(C)(C)C)C1.
What is the InChIKey of N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide?
The InChIKey is UISFYQOOSIVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-9-16(23)21-14-11-15(22-17(24)10-2)13-20(12-14,18(3,4)5)19(6,7)8/h14-15H,9-13H2,1-8H3,(H,21,23)(H,22,24).
What are the key properties of N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide?
N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide has a molecular weight of 338.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-ditert-butyl-5-(propanoylamino)cyclohexyl]propanamide is sourced from PubChem (CID 23292854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).