2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide

C18H28N2O — CID 116675423

IUPAC2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
SMILESCC(C)c1ccc(NC(=O)C(C)C2CNC2)c(C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-11(2)14-6-7-17(16(8-14)12(3)4)20-18(21)13(5)15-9-19-10-15/h6-8,11-13,15,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyPHXXSUFFLPTCPY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.73
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide

2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide (PubChem CID 116675423) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
PubChem CID116675423
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
SMILESCC(C)c1ccc(NC(=O)C(C)C2CNC2)c(C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-11(2)14-6-7-17(16(8-14)12(3)4)20-18(21)13(5)15-9-19-10-15/h6-8,11-13,15,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyPHXXSUFFLPTCPY-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide (CID 116675423) is 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide is CC(C)c1ccc(NC(=O)C(C)C2CNC2)c(C(C)C)c1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
The InChIKey is PHXXSUFFLPTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11(2)14-6-7-17(16(8-14)12(3)4)20-18(21)13(5)15-9-19-10-15/h6-8,11-13,15,19H,9-10H2,1-5H3,(H,20,21).
What are the key properties of 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 116675423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).