[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium

C16H24N3O3+ — CID 9052823

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccccc1NC(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C16H23N3O3/c1-3-22-14-7-5-4-6-13(14)18-16(21)11-19(2)10-15(20)17-12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyNBBZWDUAXHSHED-UHFFFAOYSA-O
MW306.39 g/mol
LogP-0.18
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9052823) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9052823
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCCOc1ccccc1NC(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C16H23N3O3/c1-3-22-14-7-5-4-6-13(14)18-16(21)11-19(2)10-15(20)17-12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyNBBZWDUAXHSHED-UHFFFAOYSA-O
XLogP-0.18
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9169067
6-N-cyclopropyl-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109093936
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053171
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302760
CID 174193763
CID 174193763
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium (CID 9052823) is [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium is CCOc1ccccc1NC(=O)C[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is NBBZWDUAXHSHED-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O3/c1-3-22-14-7-5-4-6-13(14)18-16(21)11-19(2)10-15(20)17-12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 306.39 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9052823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).