N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C17H25N3O2 — CID 15994323

IUPACN-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C17H25N3O2/c1-3-4-8-18-16(21)13-20-10-9-19(17(20)22)12-15-7-5-6-14(2)11-15/h5-7,11H,3-4,8-10,12-13H2,1-2H3,(H,18,21)
InChIKeyBJAFKXMBXMIPNW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.15
Rot. Bonds7

About N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 15994323) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID15994323
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C17H25N3O2/c1-3-4-8-18-16(21)13-20-10-9-19(17(20)22)12-15-7-5-6-14(2)11-15/h5-7,11H,3-4,8-10,12-13H2,1-2H3,(H,18,21)
InChIKeyBJAFKXMBXMIPNW-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 4095945
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 20851373
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
N-butyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034583
N-(2-cyanoethyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 18124456
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063982
N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
2-[4-(3-methylphenyl)-2,3-dioxopiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 167997748
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 15994323) is N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCCCNC(=O)CN1CCN(Cc2cccc(C)c2)C1=O.
What is the InChIKey of N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is BJAFKXMBXMIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-4-8-18-16(21)13-20-10-9-19(17(20)22)12-15-7-5-6-14(2)11-15/h5-7,11H,3-4,8-10,12-13H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 15994323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).