N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C19H27N3O3 — CID 17382445

IUPACN-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C
InChIInChI=1S/C19H27N3O3/c1-5-20-17(23)12-16-18(24)22(15-8-6-7-14(4)11-15)19(25)21(16)10-9-13(2)3/h6-8,11,13,16H,5,9-10,12H2,1-4H3,(H,20,23)
InChIKeyUSDYHKNHMGVDHS-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 17382445) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID17382445
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C
InChIInChI=1S/C19H27N3O3/c1-5-20-17(23)12-16-18(24)22(15-8-6-7-14(4)11-15)19(25)21(16)10-9-13(2)3/h6-8,11,13,16H,5,9-10,12H2,1-4H3,(H,20,23)
InChIKeyUSDYHKNHMGVDHS-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 17382445) is N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C.
What is the InChIKey of N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is USDYHKNHMGVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-20-17(23)12-16-18(24)22(15-8-6-7-14(4)11-15)19(25)21(16)10-9-13(2)3/h6-8,11,13,16H,5,9-10,12H2,1-4H3,(H,20,23).
What are the key properties of N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 17382445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).