N-tert-butyl-3-cyclopentyl-2-propoxypropanamide

C15H29NO2 — CID 20790261

IUPACN-tert-butyl-3-cyclopentyl-2-propoxypropanamide
SMILESCCCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyNMEDHPXQBKFVKG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds6

About N-tert-butyl-3-cyclopentyl-2-propoxypropanamide

N-tert-butyl-3-cyclopentyl-2-propoxypropanamide (PubChem CID 20790261) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopentyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopentyl-2-propoxypropanamide
PubChem CID20790261
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-tert-butyl-3-cyclopentyl-2-propoxypropanamide
SMILESCCCOC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyNMEDHPXQBKFVKG-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide (CID 20790261) is N-tert-butyl-3-cyclopentyl-2-propoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopentyl-2-propoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclopentyl-2-propoxypropanamide is CCCOC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide?
The InChIKey is NMEDHPXQBKFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-10-18-13(11-12-8-6-7-9-12)14(17)16-15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-cyclopentyl-2-propoxypropanamide?
N-tert-butyl-3-cyclopentyl-2-propoxypropanamide has a molecular weight of 255.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopentyl-2-propoxypropanamide is sourced from PubChem (CID 20790261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).