[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C19H28N5O4+ — CID 135809295

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOCC[NH+](CC(=O)NC(=O)NC(C)(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H27N5O4/c1-19(2,3)23-18(27)22-16(25)12-24(9-10-28-4)11-15-20-14-8-6-5-7-13(14)17(26)21-15/h5-8H,9-12H2,1-4H3,(H,20,21,26)(H2,22,23,25,27)/p+1
InChIKeyVDWLWYUOTDROND-UHFFFAOYSA-O
MW390.46 g/mol
LogP-0.42
Rot. Bonds7

About [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809295) has the molecular formula C19H28N5O4+ and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135809295
Molecular FormulaC19H28N5O4+
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOCC[NH+](CC(=O)NC(=O)NC(C)(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H27N5O4/c1-19(2,3)23-18(27)22-16(25)12-24(9-10-28-4)11-15-20-14-8-6-5-7-13(14)17(26)21-15/h5-8H,9-12H2,1-4H3,(H,20,21,26)(H2,22,23,25,27)/p+1
InChIKeyVDWLWYUOTDROND-UHFFFAOYSA-O
XLogP-0.42
TPSA117.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809357
2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809409
[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809401
[2-(3-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809349
[2-(3-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809335
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729544
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809389
butyl-[2-(butylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135750948
butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809165
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808155

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809295) is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is COCC[NH+](CC(=O)NC(=O)NC(C)(C)C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is VDWLWYUOTDROND-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N5O4/c1-19(2,3)23-18(27)22-16(25)12-24(9-10-28-4)11-15-20-14-8-6-5-7-13(14)17(26)21-15/h5-8H,9-12H2,1-4H3,(H,20,21,26)(H2,22,23,25,27)/p+1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 390.46 g/mol, XLogP of -0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).