N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide

C22H24N2O4 — CID 39940708

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-13-28-20-9-5-18(6-10-20)22(26)23-19-7-3-17(4-8-19)16-21(25)24-11-14-27-15-12-24/h2-10H,1,11-16H2,(H,23,26)
InChIKeyJOTXGAKGVDKIFC-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.90
Rot. Bonds7

About N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 39940708) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
PubChem CID39940708
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-13-28-20-9-5-18(6-10-20)22(26)23-19-7-3-17(4-8-19)16-21(25)24-11-14-27-15-12-24/h2-10H,1,11-16H2,(H,23,26)
InChIKeyJOTXGAKGVDKIFC-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.90
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

4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
CID 54821508
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710
N-(4-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617165
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681564
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056089

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide (CID 39940708) is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is JOTXGAKGVDKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-13-28-20-9-5-18(6-10-20)22(26)23-19-7-3-17(4-8-19)16-21(25)24-11-14-27-15-12-24/h2-10H,1,11-16H2,(H,23,26).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 380.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 39940708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).