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

C15H27NO2 — CID 20790254

IUPACN-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)OCC1CC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)16-14(17)13(9-11-5-4-6-11)18-10-12-7-8-12/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyQLCLKSQPNSLZSP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds6

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

N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide (PubChem CID 20790254) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide
PubChem CID20790254
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide
SMILESCC(C)(C)NC(=O)C(CC1CCC1)OCC1CC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)16-14(17)13(9-11-5-4-6-11)18-10-12-7-8-12/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyQLCLKSQPNSLZSP-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
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-cyclobutyl-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide (CID 20790254) is N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide is CC(C)(C)NC(=O)C(CC1CCC1)OCC1CC1.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide?
The InChIKey is QLCLKSQPNSLZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)16-14(17)13(9-11-5-4-6-11)18-10-12-7-8-12/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide?
N-tert-butyl-3-cyclobutyl-2-(cyclopropylmethoxy)propanamide has a molecular weight of 253.39 g/mol, XLogP of 2.89, 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-cyclobutyl-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 20790254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).