1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide

C18H22N4O3 — CID 166257062

IUPAC1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCc2cnc3n2CCOC3)c1
InChIInChI=1S/C18H22N4O3/c1-3-21(2)18(24)14-6-4-5-13(9-14)17(23)20-11-15-10-19-16-12-25-8-7-22(15)16/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyVRGAORJSIHLLRN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.44
Rot. Bonds5

About 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide

1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 166257062) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID166257062
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCc2cnc3n2CCOC3)c1
InChIInChI=1S/C18H22N4O3/c1-3-21(2)18(24)14-6-4-5-13(9-14)17(23)20-11-15-10-19-16-12-25-8-7-22(15)16/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyVRGAORJSIHLLRN-UHFFFAOYSA-N
XLogP1.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-N-(5-bromo-2-morpholin-4-ylphenyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167967581
5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 166225501
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 119568500
N-[[3-[ethyl(methyl)carbamoyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159098
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548194
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111460252
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
N,3-diethyl-N-methylbenzamide
CID 89250993

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide (CID 166257062) is 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NCc2cnc3n2CCOC3)c1.
What is the InChIKey of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is VRGAORJSIHLLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-21(2)18(24)14-6-4-5-13(9-14)17(23)20-11-15-10-19-16-12-25-8-7-22(15)16/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 166257062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).