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

C25H33N3O4 — CID 3241840

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC
InChIInChI=1S/C25H33N3O4/c1-4-31-22-11-10-20(16-23(22)32-5-2)12-13-26-24(29)18-28-15-14-27(25(28)30)17-21-9-7-6-8-19(21)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,26,29)
InChIKeyIQZBXVNNHGLQLL-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.39
Rot. Bonds11

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 3241840) 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-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID3241840
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC
InChIInChI=1S/C25H33N3O4/c1-4-31-22-11-10-20(16-23(22)32-5-2)12-13-26-24(29)18-28-15-14-27(25(28)30)17-21-9-7-6-8-19(21)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,26,29)
InChIKeyIQZBXVNNHGLQLL-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-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 20851373
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061119
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
CID 20968374
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19342896
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3585140
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522546
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592921
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-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 3241840) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is IQZBXVNNHGLQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-31-22-11-10-20(16-23(22)32-5-2)12-13-26-24(29)18-28-15-14-27(25(28)30)17-21-9-7-6-8-19(21)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-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-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3241840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).