N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide

C17H33NO2 — CID 20790215

IUPACN-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(OCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-16(2,3)11-14(15(19)18-17(4,5)6)20-12-13-9-7-8-10-13/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyKYLUAPNGCPWTGS-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.91
Rot. Bonds5

About N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide

N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide (PubChem CID 20790215) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
PubChem CID20790215
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(OCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-16(2,3)11-14(15(19)18-17(4,5)6)20-12-13-9-7-8-10-13/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyKYLUAPNGCPWTGS-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.91
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)-4,4-dimethylpentanamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide (CID 20790215) is N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide is CC(C)(C)CC(OCC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide?
The InChIKey is KYLUAPNGCPWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-16(2,3)11-14(15(19)18-17(4,5)6)20-12-13-9-7-8-10-13/h13-14H,7-12H2,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide?
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide has a molecular weight of 283.46 g/mol, XLogP of 3.91, 5 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)-4,4-dimethylpentanamide is sourced from PubChem (CID 20790215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).