N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C17H23N3O3 — CID 4028349

IUPACN-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-2-3-11-18-15(21)12-20-16(22)14(19-17(20)23)10-9-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyDDGMJSYGYXKMGR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds8

About N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 4028349) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID4028349
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-2-3-11-18-15(21)12-20-16(22)14(19-17(20)23)10-9-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyDDGMJSYGYXKMGR-UHFFFAOYSA-N
XLogP1.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 4028349) is N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CCCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O.
What is the InChIKey of N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is DDGMJSYGYXKMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-3-11-18-15(21)12-20-16(22)14(19-17(20)23)10-9-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 4028349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).