N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide

C28H31N3O4 — CID 25019540

IUPACN-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide
SMILESCOc1ccc(CCN2C(=O)N(NC(=O)COc3ccccc3)CC2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H31N3O4/c1-20-9-12-23(17-21(20)2)26-18-31(29-27(32)19-35-25-7-5-4-6-8-25)28(33)30(26)16-15-22-10-13-24(34-3)14-11-22/h4-14,17,26H,15-16,18-19H2,1-3H3,(H,29,32)
InChIKeyZCEIQKWSVWHJTK-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.44
Rot. Bonds9

About N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide

N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide (PubChem CID 25019540) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide
PubChem CID25019540
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide
SMILESCOc1ccc(CCN2C(=O)N(NC(=O)COc3ccccc3)CC2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H31N3O4/c1-20-9-12-23(17-21(20)2)26-18-31(29-27(32)19-35-25-7-5-4-6-8-25)28(33)30(26)16-15-22-10-13-24(34-3)14-11-22/h4-14,17,26H,15-16,18-19H2,1-3H3,(H,29,32)
InChIKeyZCEIQKWSVWHJTK-UHFFFAOYSA-N
XLogP4.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25019019
methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
CID 158335703
1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
CID 25015934
2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11664742
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11592987
4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine
CID 25017496
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 16822158
N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25018004
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
N-(3,4-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126275518
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide (CID 25019540) is N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide is COc1ccc(CCN2C(=O)N(NC(=O)COc3ccccc3)CC2c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide?
The InChIKey is ZCEIQKWSVWHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20-9-12-23(17-21(20)2)26-18-31(29-27(32)19-35-25-7-5-4-6-8-25)28(33)30(26)16-15-22-10-13-24(34-3)14-11-22/h4-14,17,26H,15-16,18-19H2,1-3H3,(H,29,32).
What are the key properties of N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide?
N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide has a molecular weight of 473.57 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 25019540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).