N-benzyl-2-(2-methylpropoxy)propanamide

C14H21NO2 — CID 47030999

IUPACN-benzyl-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-17-12(3)14(16)15-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,15,16)
InChIKeyNXJDLKYOZAJIRX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds6

About N-benzyl-2-(2-methylpropoxy)propanamide

N-benzyl-2-(2-methylpropoxy)propanamide (PubChem CID 47030999) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-benzyl-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methylpropoxy)propanamide
PubChem CID47030999
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-benzyl-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)NCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-17-12(3)14(16)15-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,15,16)
InChIKeyNXJDLKYOZAJIRX-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-benzyl-2-(2-methylpropoxy)propanamide (CID 47030999) is N-benzyl-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-benzyl-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-benzyl-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-methylpropoxy)propanamide?
The InChIKey is NXJDLKYOZAJIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)10-17-12(3)14(16)15-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-benzyl-2-(2-methylpropoxy)propanamide?
N-benzyl-2-(2-methylpropoxy)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 47030999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).