4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide

C17H19N3O3 — CID 78805985

IUPAC4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-3-9-19(10-4-2)16(22)14-7-5-13(6-8-14)12-20-15(21)11-18-17(20)23/h3-8H,1-2,9-12H2,(H,18,23)
InChIKeySNYBJZDGRYEYMM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.55
Rot. Bonds7

About 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide

4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 78805985) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
PubChem CID78805985
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H19N3O3/c1-3-9-19(10-4-2)16(22)14-7-5-13(6-8-14)12-20-15(21)11-18-17(20)23/h3-8H,1-2,9-12H2,(H,18,23)
InChIKeySNYBJZDGRYEYMM-UHFFFAOYSA-N
XLogP1.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 78851149
2-chloroprop-2-enyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46691602
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510545
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 27670779
(2-methoxy-2-oxoethyl) 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16585574
4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide
CID 167742854
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide (CID 78805985) is 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is SNYBJZDGRYEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-9-19(10-4-2)16(22)14-7-5-13(6-8-14)12-20-15(21)11-18-17(20)23/h3-8H,1-2,9-12H2,(H,18,23).
What are the key properties of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide?
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 78805985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).