N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide

C13H17N3O3 — CID 64618375

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
SMILESNC(=O)COc1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C13H17N3O3/c14-12(17)8-19-11-3-1-2-10(5-11)16-13(18)4-9-6-15-7-9/h1-3,5,9,15H,4,6-8H2,(H2,14,17)(H,16,18)
InChIKeyDFQAHTQAZMBCRV-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide (PubChem CID 64618375) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
PubChem CID64618375
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
SMILESNC(=O)COc1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C13H17N3O3/c14-12(17)8-19-11-3-1-2-10(5-11)16-13(18)4-9-6-15-7-9/h1-3,5,9,15H,4,6-8H2,(H2,14,17)(H,16,18)
InChIKeyDFQAHTQAZMBCRV-UHFFFAOYSA-N
XLogP0.10
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
CID 64617559
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide
CID 112728765
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide (CID 64618375) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide is NC(=O)COc1cccc(NC(=O)CC2CNC2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide?
The InChIKey is DFQAHTQAZMBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)8-19-11-3-1-2-10(5-11)16-13(18)4-9-6-15-7-9/h1-3,5,9,15H,4,6-8H2,(H2,14,17)(H,16,18).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide is sourced from PubChem (CID 64618375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).