1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one

C17H25N3O4 — CID 8694902

IUPAC1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)N2CCNC2=O)cc1OC
InChIInChI=1S/C17H25N3O4/c1-5-24-14-7-6-13(10-15(14)23-4)11-19(3)12(2)16(21)20-9-8-18-17(20)22/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyHFTKCWKBNIADOY-GFCCVEGCSA-N
MW335.40 g/mol
LogP1.47
Rot. Bonds7

About 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one

1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one (PubChem CID 8694902) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
PubChem CID8694902
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)N2CCNC2=O)cc1OC
InChIInChI=1S/C17H25N3O4/c1-5-24-14-7-6-13(10-15(14)23-4)11-19(3)12(2)16(21)20-9-8-18-17(20)22/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyHFTKCWKBNIADOY-GFCCVEGCSA-N
XLogP1.47
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8789162
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
CID 8595959
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)propanamide
CID 9494705
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9494576
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9494628
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8694080
methyl 5-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8515202
ethyl 5-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8515189
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8798182

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one (CID 8694902) is 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one is CCOc1ccc(CN(C)[C@H](C)C(=O)N2CCNC2=O)cc1OC.
What is the InChIKey of 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The InChIKey is HFTKCWKBNIADOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-24-14-7-6-13(10-15(14)23-4)11-19(3)12(2)16(21)20-9-8-18-17(20)22/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one has a molecular weight of 335.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8694902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).