2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

C17H23N3O4 — CID 95148404

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C17H23N3O4/c1-5-20(11-12-6-8-13(24-4)9-7-12)15(21)10-14-16(22)19(3)17(23)18(14)2/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1
InChIKeyYISOZGLQEHBOIA-AWEZNQCLSA-N
MW333.39 g/mol
LogP1.33
Rot. Bonds6

About 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 95148404) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID95148404
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C17H23N3O4/c1-5-20(11-12-6-8-13(24-4)9-7-12)15(21)10-14-16(22)19(3)17(23)18(14)2/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1
InChIKeyYISOZGLQEHBOIA-AWEZNQCLSA-N
XLogP1.33
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
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 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 95148404) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YISOZGLQEHBOIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-5-20(11-12-6-8-13(24-4)9-7-12)15(21)10-14-16(22)19(3)17(23)18(14)2/h6-9,14H,5,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 95148404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).