2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide

C16H22N2O3 — CID 91830261

IUPAC2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CC(Oc2ccccc2OC)C1
InChIInChI=1S/C16H22N2O3/c1-4-9-17-16(19)12(2)18-10-13(11-18)21-15-8-6-5-7-14(15)20-3/h4-8,12-13H,1,9-11H2,2-3H3,(H,17,19)
InChIKeyCQBRJBWNXJXXBF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds7

About 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide

2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 91830261) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID91830261
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CC(Oc2ccccc2OC)C1
InChIInChI=1S/C16H22N2O3/c1-4-9-17-16(19)12(2)18-10-13(11-18)21-15-8-6-5-7-14(15)20-3/h4-8,12-13H,1,9-11H2,2-3H3,(H,17,19)
InChIKeyCQBRJBWNXJXXBF-UHFFFAOYSA-N
XLogP1.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide
CID 124757769
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylpropanamide;hydrochloride
CID 120761740
(2R)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-(2-methylpropyl)propanamide
CID 125169498
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55471088
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide (CID 91830261) is 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CC(Oc2ccccc2OC)C1.
What is the InChIKey of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is CQBRJBWNXJXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-9-17-16(19)12(2)18-10-13(11-18)21-15-8-6-5-7-14(15)20-3/h4-8,12-13H,1,9-11H2,2-3H3,(H,17,19).
What are the key properties of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide?
2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 91830261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).