2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide

C13H15N3O2 — CID 64610182

IUPAC2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
SMILESN#CCOc1ccc(NC(=O)CC2CNC2)cc1
InChIInChI=1S/C13H15N3O2/c14-5-6-18-12-3-1-11(2-4-12)16-13(17)7-10-8-15-9-10/h1-4,10,15H,6-9H2,(H,16,17)
InChIKeyUSRMEAKUWARFCB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide

2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide (PubChem CID 64610182) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
PubChem CID64610182
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
SMILESN#CCOc1ccc(NC(=O)CC2CNC2)cc1
InChIInChI=1S/C13H15N3O2/c14-5-6-18-12-3-1-11(2-4-12)16-13(17)7-10-8-15-9-10/h1-4,10,15H,6-9H2,(H,16,17)
InChIKeyUSRMEAKUWARFCB-UHFFFAOYSA-N
XLogP1.14
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenoxy]acetic acid
CID 64612475
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277736
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide (CID 64610182) is 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide is N#CCOc1ccc(NC(=O)CC2CNC2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide?
The InChIKey is USRMEAKUWARFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-5-6-18-12-3-1-11(2-4-12)16-13(17)7-10-8-15-9-10/h1-4,10,15H,6-9H2,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide?
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide is sourced from PubChem (CID 64610182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).