N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide

C16H31NO2 — CID 20790212

IUPACN-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-15(2,3)13(14(18)17-16(4,5)6)19-11-12-9-7-8-10-12/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyNYDILCIXVIJUSD-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.52
Rot. Bonds4

About N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide

N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide (PubChem CID 20790212) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide
PubChem CID20790212
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-15(2,3)13(14(18)17-16(4,5)6)19-11-12-9-7-8-10-12/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyNYDILCIXVIJUSD-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide (CID 20790212) is N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide is CC(C)(C)NC(=O)C(OCC1CCCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide?
The InChIKey is NYDILCIXVIJUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)13(14(18)17-16(4,5)6)19-11-12-9-7-8-10-12/h12-13H,7-11H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide?
N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide is sourced from PubChem (CID 20790212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).