N-tert-butyl-3-cyclopropyl-2-propoxypropanamide

C13H25NO2 — CID 20790264

IUPACN-tert-butyl-3-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWMNMTGNTTMAYFH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

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

N-tert-butyl-3-cyclopropyl-2-propoxypropanamide (PubChem CID 20790264) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-2-propoxypropanamide
PubChem CID20790264
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-tert-butyl-3-cyclopropyl-2-propoxypropanamide
SMILESCCCOC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWMNMTGNTTMAYFH-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
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-cyclopropyl-2-propoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclopropyl-2-propoxypropanamide (CID 20790264) is N-tert-butyl-3-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-2-propoxypropanamide is CCCOC(CC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-2-propoxypropanamide?
The InChIKey is WMNMTGNTTMAYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-8-16-11(9-10-6-7-10)12(15)14-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-3-cyclopropyl-2-propoxypropanamide?
N-tert-butyl-3-cyclopropyl-2-propoxypropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 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-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 20790264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).