[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

C22H27NO6 — CID 138517356

IUPAC[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1OC(=O)C(=C)C
InChIInChI=1S/C22H27NO6/c1-14(2)20(25)28-17-8-7-16(13-18(17)29-21(26)15(3)4)19(24)22(5,6)23-9-11-27-12-10-23/h7-8,13H,1,3,9-12H2,2,4-6H3
InChIKeyGAAAQYRGZVEJLB-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.94
Rot. Bonds7

About [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate

[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (PubChem CID 138517356) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
PubChem CID138517356
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1OC(=O)C(=C)C
InChIInChI=1S/C22H27NO6/c1-14(2)20(25)28-17-8-7-16(13-18(17)29-21(26)15(3)4)19(24)22(5,6)23-9-11-27-12-10-23/h7-8,13H,1,3,9-12H2,2,4-6H3
InChIKeyGAAAQYRGZVEJLB-UHFFFAOYSA-N
XLogP2.94
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylethyl 2-methylprop-2-enoate
CID 23325645
2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147279246
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395
[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenyl]sulfanylphenyl] 2-methylprop-2-enoate
CID 135157313
1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879385
2-methyl-2-morpholin-4-yl-1-[4-(1-phenylethenylsulfanyl)phenyl]propan-1-one
CID 18755073
3-hydroxy-4-(2-methylprop-2-enoyloxy)benzoic acid
CID 139746465
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate (CID 138517356) is [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1OC(=O)C(=C)C.
What is the InChIKey of [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
The InChIKey is GAAAQYRGZVEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-14(2)20(25)28-17-8-7-16(13-18(17)29-21(26)15(3)4)19(24)22(5,6)23-9-11-27-12-10-23/h7-8,13H,1,3,9-12H2,2,4-6H3.
What are the key properties of [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate?
[4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate has a molecular weight of 401.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 138517356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).