N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide

C18H34N2O2 — CID 22972622

IUPACN'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
SMILESCC(C)C(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C18H34N2O2/c1-12(2)15(17(22)20-18(3,4)5)14(16(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)(H,20,22)
InChIKeyLMUVSQRAFFQRRT-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.25
Rot. Bonds7

About N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide

N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide (PubChem CID 22972622) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
PubChem CID22972622
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
SMILESCC(C)C(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O
InChIInChI=1S/C18H34N2O2/c1-12(2)15(17(22)20-18(3,4)5)14(16(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)(H,20,22)
InChIKeyLMUVSQRAFFQRRT-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
The IUPAC name of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide (CID 22972622) is N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide.
What is the SMILES notation for N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
The canonical SMILES for N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide is CC(C)C(C(=O)NC(C)(C)C)C(CCC1CCCC1)C(N)=O.
What is the InChIKey of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
The InChIKey is LMUVSQRAFFQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)15(17(22)20-18(3,4)5)14(16(19)21)11-10-13-8-6-7-9-13/h12-15H,6-11H2,1-5H3,(H2,19,21)(H,20,22).
What are the key properties of N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide?
N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide has a molecular weight of 310.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide is sourced from PubChem (CID 22972622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).