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

C21H23N3O4 — CID 2984768

IUPACN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C21H23N3O4/c1-3-22-19(25)13-18-20(26)24(16-7-5-4-6-8-16)21(27)23(18)14-15-9-11-17(28-2)12-10-15/h4-12,18H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyPMPXTBODZUFCFV-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.56
Rot. Bonds7

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

N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (PubChem CID 2984768) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
PubChem CID2984768
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C21H23N3O4/c1-3-22-19(25)13-18-20(26)24(16-7-5-4-6-8-16)21(27)23(18)14-15-9-11-17(28-2)12-10-15/h4-12,18H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyPMPXTBODZUFCFV-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (CID 2984768) is N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The InChIKey is PMPXTBODZUFCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-22-19(25)13-18-20(26)24(16-7-5-4-6-8-16)21(27)23(18)14-15-9-11-17(28-2)12-10-15/h4-12,18H,3,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2984768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).