N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide

C14H25NO2 — CID 20790262

IUPACN-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CC1)OCC1CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)15-13(16)12(8-10-4-5-10)17-9-11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyUPJKHUPCDOUXPW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds6

About N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide

N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide (PubChem CID 20790262) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide
PubChem CID20790262
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CC1)OCC1CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)15-13(16)12(8-10-4-5-10)17-9-11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyUPJKHUPCDOUXPW-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
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-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide (CID 20790262) is N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide is CC(C)(C)NC(=O)C(CC1CC1)OCC1CC1.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide?
The InChIKey is UPJKHUPCDOUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)15-13(16)12(8-10-4-5-10)17-9-11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide?
N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide has a molecular weight of 239.36 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-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 20790262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).