N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C24H30FN3O4 — CID 3239203

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC
InChIInChI=1S/C24H30FN3O4/c1-3-31-21-10-7-18(15-22(21)32-4-2)11-12-26-23(29)17-28-14-13-27(24(28)30)16-19-5-8-20(25)9-6-19/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyYDNFKPMSUODLQZ-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.22
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 3239203) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID3239203
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC
InChIInChI=1S/C24H30FN3O4/c1-3-31-21-10-7-18(15-22(21)32-4-2)11-12-26-23(29)17-28-14-13-27(24(28)30)16-19-5-8-20(25)9-6-19/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyYDNFKPMSUODLQZ-UHFFFAOYSA-N
XLogP3.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone
CID 5087
(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
CID 6603746
5-((3-(Cyclopentyloxy)-4-methoxyphenyl)methyl)-4,5-dihydro-1H-imidazol-2-ol
CID 3058801
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 2969145
N-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2,5-dioxo-4-trifluoromethyl-imidazolidin-4-yl}-3-methyl-butyramide
CID 3651967
6-Amino-1-benzyl-5-[2-(3,4-dimethoxy-phenyl)-ethylamino]-1H-pyrimidine-2,4-dione
CID 2388927
Pbmc
CID 73352623
N2-{4-[(3-fluorobenzyl)oxy]benzyl}glycinamide
CID 23625203
N-{(acetylamino)[3-methoxy-4-(phenylmethoxy)phenyl]methyl}acetamide
CID 693353
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidinylacetamide
CID 3114038
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 16273759
N-benzyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide
CID 3102469

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 3239203) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is YDNFKPMSUODLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-3-31-21-10-7-18(15-22(21)32-4-2)11-12-26-23(29)17-28-14-13-27(24(28)30)16-19-5-8-20(25)9-6-19/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 443.52 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3239203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).