N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide

C13H25NO — CID 70798634

IUPACN-tert-butyl-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(C(=O)C1CCCC1)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)14(13(3,4)5)12(15)11-8-6-7-9-11/h10-11H,6-9H2,1-5H3
InChIKeyLEAGHIBYMSAXHN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds2

About N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide

N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 70798634) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-propan-2-ylcyclopentanecarboxamide
PubChem CID70798634
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-tert-butyl-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(C(=O)C1CCCC1)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)14(13(3,4)5)12(15)11-8-6-7-9-11/h10-11H,6-9H2,1-5H3
InChIKeyLEAGHIBYMSAXHN-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide (CID 70798634) is N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide is CC(C)N(C(=O)C1CCCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is LEAGHIBYMSAXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)14(13(3,4)5)12(15)11-8-6-7-9-11/h10-11H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide?
N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 70798634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).