2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide

C22H23N3O5 — CID 51949265

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(OC)c1
InChIInChI=1S/C22H23N3O5/c1-4-6-14-9-10-17(18(11-14)29-3)30-13-19(26)23-16-8-5-7-15(12-16)22(2)20(27)24-21(28)25-22/h4-5,7-12H,1,6,13H2,2-3H3,(H,23,26)(H2,24,25,27,28)/t22-/m1/s1
InChIKeyIIUFQEFLVCFVIU-JOCHJYFZSA-N
MW409.44 g/mol
LogP2.50
Rot. Bonds8

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide (PubChem CID 51949265) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
PubChem CID51949265
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(OC)c1
InChIInChI=1S/C22H23N3O5/c1-4-6-14-9-10-17(18(11-14)29-3)30-13-19(26)23-16-8-5-7-15(12-16)22(2)20(27)24-21(28)25-22/h4-5,7-12H,1,6,13H2,2-3H3,(H,23,26)(H2,24,25,27,28)/t22-/m1/s1
InChIKeyIIUFQEFLVCFVIU-JOCHJYFZSA-N
XLogP2.50
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 26086828
N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30779256
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55859591
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide (CID 51949265) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide is C=CCc1ccc(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide?
The InChIKey is IIUFQEFLVCFVIU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-4-6-14-9-10-17(18(11-14)29-3)30-13-19(26)23-16-8-5-7-15(12-16)22(2)20(27)24-21(28)25-22/h4-5,7-12H,1,6,13H2,2-3H3,(H,23,26)(H2,24,25,27,28)/t22-/m1/s1.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 51949265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).