N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C22H27N3O4 — CID 55838174

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCOCCOCc1cccc(CNC(=O)c2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C22H27N3O4/c1-2-28-11-12-29-16-18-6-3-5-17(13-18)15-24-21(26)19-7-4-8-20(14-19)25-10-9-23-22(25)27/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyDSJCQNDCASZYHP-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.70
Rot. Bonds10

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 55838174) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID55838174
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCOCCOCc1cccc(CNC(=O)c2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C22H27N3O4/c1-2-28-11-12-29-16-18-6-3-5-17(13-18)15-24-21(26)19-7-4-8-20(14-19)25-10-9-23-22(25)27/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyDSJCQNDCASZYHP-UHFFFAOYSA-N
XLogP2.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 39586980
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095782
ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969090
ethyl 4-[N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164190
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55797540
3-(dimethylsulfamoyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-fluorobenzamide
CID 55796196
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 166216311
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 55838174) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide is CCOCCOCc1cccc(CNC(=O)c2cccc(N3CCNC3=O)c2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is DSJCQNDCASZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-28-11-12-29-16-18-6-3-5-17(13-18)15-24-21(26)19-7-4-8-20(14-19)25-10-9-23-22(25)27/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55838174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).