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

C14H17N3O5 — CID 110722124

IUPACN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCC1NC(=O)NC1=O
InChIInChI=1S/C14H17N3O5/c1-21-9-4-3-5-10(22-2)11(9)13(19)15-7-6-8-12(18)17-14(20)16-8/h3-5,8H,6-7H2,1-2H3,(H,15,19)(H2,16,17,18,20)
InChIKeyADNHAYBTEZDFKF-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.03
Rot. Bonds6

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

N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide (PubChem CID 110722124) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
PubChem CID110722124
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCC1NC(=O)NC1=O
InChIInChI=1S/C14H17N3O5/c1-21-9-4-3-5-10(22-2)11(9)13(19)15-7-6-8-12(18)17-14(20)16-8/h3-5,8H,6-7H2,1-2H3,(H,15,19)(H2,16,17,18,20)
InChIKeyADNHAYBTEZDFKF-UHFFFAOYSA-N
XLogP0.03
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.03
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-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide
CID 110722270
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
CID 110743570
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 47150286
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
2-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 75460025
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 40843380

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide (CID 110722124) is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCC1NC(=O)NC1=O.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide?
The InChIKey is ADNHAYBTEZDFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-21-9-4-3-5-10(22-2)11(9)13(19)15-7-6-8-12(18)17-14(20)16-8/h3-5,8H,6-7H2,1-2H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide?
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide has a molecular weight of 307.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110722124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).