N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide

C13H17N3O2 — CID 64617559

IUPACN-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C13H17N3O2/c1-9(17)15-11-3-2-4-12(6-11)16-13(18)5-10-7-14-8-10/h2-4,6,10,14H,5,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyPQMBCIICHNAUMV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.19
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide

N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide (PubChem CID 64617559) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
PubChem CID64617559
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C13H17N3O2/c1-9(17)15-11-3-2-4-12(6-11)16-13(18)5-10-7-14-8-10/h2-4,6,10,14H,5,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyPQMBCIICHNAUMV-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
CID 64612034
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
(E)-3-[3-[(2-pyrrolidin-3-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 115339792
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
CID 107583496

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide (CID 64617559) is N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide is CC(=O)Nc1cccc(NC(=O)CC2CNC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide?
The InChIKey is PQMBCIICHNAUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)15-11-3-2-4-12(6-11)16-13(18)5-10-7-14-8-10/h2-4,6,10,14H,5,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide?
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide is sourced from PubChem (CID 64617559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).