N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide

C17H31NO2 — CID 20790211

IUPACN-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide
SMILESCC1CC1CC(OCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H31NO2/c1-12-9-14(12)10-15(16(19)18-17(2,3)4)20-11-13-7-5-6-8-13/h12-15H,5-11H2,1-4H3,(H,18,19)
InChIKeyVORRSGOKOCQHJK-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.52
Rot. Bonds6

About N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide

N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide (PubChem CID 20790211) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide
PubChem CID20790211
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide
SMILESCC1CC1CC(OCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H31NO2/c1-12-9-14(12)10-15(16(19)18-17(2,3)4)20-11-13-7-5-6-8-13/h12-15H,5-11H2,1-4H3,(H,18,19)
InChIKeyVORRSGOKOCQHJK-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Tert-butylamino)-3-methyl-1-oxobutan-2-yl] 2-cyclopentylacetate
CID 92008094
N-tert-butyl-2-(cyclopentylmethoxy)-3,3-dimethylbutanamide
CID 20790212
N-tert-butyl-2-(cyclopentylmethoxy)-3-cyclopropylpropanamide
CID 20790213
N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide
CID 20790214
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215
N-tert-butyl-2-(cyclopropylmethoxy)-3-(2-methylcyclopropyl)propanamide
CID 20790224
N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide
CID 20790234
N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide
CID 20790249
N-tert-butyl-3-cyclobutyl-2-(cyclopentylmethoxy)propanamide
CID 20790253
N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide
CID 20790254
N-tert-butyl-3-cyclobutyl-2-ethoxypropanamide
CID 20790255
N-tert-butyl-3-cyclobutyl-2-propoxypropanamide
CID 20790256

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide (CID 20790211) is N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide is CC1CC1CC(OCC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide?
The InChIKey is VORRSGOKOCQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12-9-14(12)10-15(16(19)18-17(2,3)4)20-11-13-7-5-6-8-13/h12-15H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide?
N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 3.52, 6 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-(2-methylcyclopropyl)propanamide is sourced from PubChem (CID 20790211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).