2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide

C27H27N3O4 — CID 56522106

IUPAC2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)CN(c2ccccc2)C1=O
InChIInChI=1S/C27H27N3O4/c1-2-28(17-21-13-15-24(16-14-21)34-20-22-9-5-3-6-10-22)25(31)18-30-26(32)19-29(27(30)33)23-11-7-4-8-12-23/h3-16H,2,17-20H2,1H3
InChIKeyKRBTUWJIFSXSHH-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.08
Rot. Bonds9

About 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide

2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 56522106) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID56522106
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)CN(c2ccccc2)C1=O
InChIInChI=1S/C27H27N3O4/c1-2-28(17-21-13-15-24(16-14-21)34-20-22-9-5-3-6-10-22)25(31)18-30-26(32)19-29(27(30)33)23-11-7-4-8-12-23/h3-16H,2,17-20H2,1H3
InChIKeyKRBTUWJIFSXSHH-UHFFFAOYSA-N
XLogP4.08
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772652
(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8545424
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N,N-bis(3-methylbutyl)acetamide
CID 55867688
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 27040470
ethyl 1-[2-(diethylamino)-2-oxoethyl]-6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761464
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 60519700
N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 122245031
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide (CID 56522106) is 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)CN(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is KRBTUWJIFSXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-2-28(17-21-13-15-24(16-14-21)34-20-22-9-5-3-6-10-22)25(31)18-30-26(32)19-29(27(30)33)23-11-7-4-8-12-23/h3-16H,2,17-20H2,1H3.
What are the key properties of 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 56522106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).