N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide

C13H15N3O5 — CID 110722270

IUPACN-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1NC(=O)NC1=O
InChIInChI=1S/C13H15N3O5/c1-20-8-4-3-5-9(21-2)10(8)12(18)14-6-7-11(17)16-13(19)15-7/h3-5,7H,6H2,1-2H3,(H,14,18)(H2,15,16,17,19)
InChIKeyHGPZHYNYSAOWQX-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.36
Rot. Bonds5

About N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide (PubChem CID 110722270) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide
PubChem CID110722270
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1NC(=O)NC1=O
InChIInChI=1S/C13H15N3O5/c1-20-8-4-3-5-9(21-2)10(8)12(18)14-6-7-11(17)16-13(19)15-7/h3-5,7H,6H2,1-2H3,(H,14,18)(H2,15,16,17,19)
InChIKeyHGPZHYNYSAOWQX-UHFFFAOYSA-N
XLogP-0.36
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
CID 110722124
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 47150286
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide
CID 173418970
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
2-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 75460025
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide
CID 110722120
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 110743578
2-(2,5-dioxoimidazolidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 47150004

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide (CID 110722270) is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC1NC(=O)NC1=O.
What is the InChIKey of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is HGPZHYNYSAOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-20-8-4-3-5-9(21-2)10(8)12(18)14-6-7-11(17)16-13(19)15-7/h3-5,7H,6H2,1-2H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide?
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide has a molecular weight of 293.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110722270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).