N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide

C15H20N4O2 — CID 120728055

IUPACN'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccc(N2CCC2=O)c1)N1CCOCC1
InChIInChI=1S/C15H20N4O2/c16-15(18-6-8-21-9-7-18)17-11-12-2-1-3-13(10-12)19-5-4-14(19)20/h1-3,10H,4-9,11H2,(H2,16,17)
InChIKeyBFTSPDLRPRQDJW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.57
Rot. Bonds3

About N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide

N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide (PubChem CID 120728055) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
PubChem CID120728055
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccc(N2CCC2=O)c1)N1CCOCC1
InChIInChI=1S/C15H20N4O2/c16-15(18-6-8-21-9-7-18)17-11-12-2-1-3-13(10-12)19-5-4-14(19)20/h1-3,10H,4-9,11H2,(H2,16,17)
InChIKeyBFTSPDLRPRQDJW-UHFFFAOYSA-N
XLogP0.57
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]piperazine-1-carboximidamide
CID 120728079
1,1,3,3-tetramethyl-2-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]guanidine
CID 122082680
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100464
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111075141
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
1-[[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111803789
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 75532942
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide (CID 120728055) is N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide is N/C(=N\Cc1cccc(N2CCC2=O)c1)N1CCOCC1.
What is the InChIKey of N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide?
The InChIKey is BFTSPDLRPRQDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-15(18-6-8-21-9-7-18)17-11-12-2-1-3-13(10-12)19-5-4-14(19)20/h1-3,10H,4-9,11H2,(H2,16,17).
What are the key properties of N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide?
N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide has a molecular weight of 288.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120728055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).