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

C25H33N3O4 — CID 20851373

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCN(Cc3cccc(C)c3)C2=O)cc1OCC
InChIInChI=1S/C25H33N3O4/c1-4-31-22-10-9-20(16-23(22)32-5-2)11-12-26-24(29)18-28-14-13-27(25(28)30)17-21-8-6-7-19(3)15-21/h6-10,15-16H,4-5,11-14,17-18H2,1-3H3,(H,26,29)
InChIKeyGMVLEGWCFCXMLQ-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.39
Rot. Bonds11

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 20851373) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID20851373
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCN(Cc3cccc(C)c3)C2=O)cc1OCC
InChIInChI=1S/C25H33N3O4/c1-4-31-22-10-9-20(16-23(22)32-5-2)11-12-26-24(29)18-28-14-13-27(25(28)30)17-21-8-6-7-19(3)15-21/h6-10,15-16H,4-5,11-14,17-18H2,1-3H3,(H,26,29)
InChIKeyGMVLEGWCFCXMLQ-UHFFFAOYSA-N
XLogP3.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3241840
N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15994323
N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 4095945
N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 70789735
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061119
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410820
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 39067413

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 20851373) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCOc1ccc(CCNC(=O)CN2CCN(Cc3cccc(C)c3)C2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is GMVLEGWCFCXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-31-22-10-9-20(16-23(22)32-5-2)11-12-26-24(29)18-28-14-13-27(25(28)30)17-21-8-6-7-19(3)15-21/h6-10,15-16H,4-5,11-14,17-18H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 3.39, 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-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 20851373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).