[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C18H27N4O4+ — CID 9222568

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H26N4O4/c1-22(11-16(23)19-14-7-9-15(26-2)10-8-14)12-17(24)21-18(25)20-13-5-3-4-6-13/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)(H2,20,21,24,25)/p+1
InChIKeyRUCSDELIAUUHHZ-UHFFFAOYSA-O
MW363.44 g/mol
LogP-0.08
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9222568) has the molecular formula C18H27N4O4+ and a molecular weight of 363.44 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9222568
Molecular FormulaC18H27N4O4+
Molecular Weight363.44 g/mol
Exact Mass363.20
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H26N4O4/c1-22(11-16(23)19-14-7-9-15(26-2)10-8-14)12-17(24)21-18(25)20-13-5-3-4-6-13/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)(H2,20,21,24,25)/p+1
InChIKeyRUCSDELIAUUHHZ-UHFFFAOYSA-O
XLogP-0.08
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8816667
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222752
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]azanium
CID 9053579
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8001780
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 9222568) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is RUCSDELIAUUHHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N4O4/c1-22(11-16(23)19-14-7-9-15(26-2)10-8-14)12-17(24)21-18(25)20-13-5-3-4-6-13/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)(H2,20,21,24,25)/p+1.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 363.44 g/mol, XLogP of -0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9222568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).