[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C17H25N4O4+ — CID 9029443

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NC(=O)NC1CC1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C17H24N4O4/c1-3-21(11-16(23)20-17(24)18-12-8-9-12)10-15(22)19-13-6-4-5-7-14(13)25-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,22)(H2,18,20,23,24)/p+1
InChIKeyAJWYYMKHEYGUIB-UHFFFAOYSA-O
MW349.41 g/mol
LogP-0.47
Rot. Bonds8

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9029443) has the molecular formula C17H25N4O4+ and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9029443
Molecular FormulaC17H25N4O4+
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NC(=O)NC1CC1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C17H24N4O4/c1-3-21(11-16(23)20-17(24)18-12-8-9-12)10-15(22)19-13-6-4-5-7-14(13)25-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,22)(H2,18,20,23,24)/p+1
InChIKeyAJWYYMKHEYGUIB-UHFFFAOYSA-O
XLogP-0.47
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9169067
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
[2-(2,5-dichloroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029618
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029622
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7999974
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 9029443) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)NC(=O)NC1CC1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is AJWYYMKHEYGUIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O4/c1-3-21(11-16(23)20-17(24)18-12-8-9-12)10-15(22)19-13-6-4-5-7-14(13)25-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,22)(H2,18,20,23,24)/p+1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 349.41 g/mol, XLogP of -0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9029443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).