4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide

C20H22N2O3 — CID 21367147

IUPAC4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-2-12-25-19-5-3-4-17(15-19)21-20(23)16-6-8-18(9-7-16)22-10-13-24-14-11-22/h2-9,15H,1,10-14H2,(H,21,23)
InChIKeyHCXBSGAFIDLGRE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds6

About 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide

4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 21367147) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID21367147
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-2-12-25-19-5-3-4-17(15-19)21-20(23)16-6-8-18(9-7-16)22-10-13-24-14-11-22/h2-9,15H,1,10-14H2,(H,21,23)
InChIKeyHCXBSGAFIDLGRE-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
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

1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100764293
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 38098647
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide (CID 21367147) is 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is HCXBSGAFIDLGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-12-25-19-5-3-4-17(15-19)21-20(23)16-6-8-18(9-7-16)22-10-13-24-14-11-22/h2-9,15H,1,10-14H2,(H,21,23).
What are the key properties of 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide?
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 21367147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).