3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide

C21H38N2O2 — CID 3940466

IUPAC3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCC1CCCC1)CNC(=O)CCC1CCCC1
InChIInChI=1S/C21H38N2O2/c1-21(2,15-22-19(24)13-11-17-7-3-4-8-17)16-23-20(25)14-12-18-9-5-6-10-18/h17-18H,3-16H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOMQLODWWQUZPKZ-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.19
Rot. Bonds10

About 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide

3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide (PubChem CID 3940466) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide
PubChem CID3940466
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCC1CCCC1)CNC(=O)CCC1CCCC1
InChIInChI=1S/C21H38N2O2/c1-21(2,15-22-19(24)13-11-17-7-3-4-8-17)16-23-20(25)14-12-18-9-5-6-10-18/h17-18H,3-16H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOMQLODWWQUZPKZ-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide (CID 3940466) is 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide is CC(C)(CNC(=O)CCC1CCCC1)CNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide?
The InChIKey is OMQLODWWQUZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-21(2,15-22-19(24)13-11-17-7-3-4-8-17)16-23-20(25)14-12-18-9-5-6-10-18/h17-18H,3-16H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide?
3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide has a molecular weight of 350.55 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 3940466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).