cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium

C23H30N3O3+ — CID 8770863

IUPACcyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+](Cc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C23H29N3O3/c1-3-18-6-4-5-7-21(18)25-22(27)14-24-23(28)16-26(19-10-11-19)15-17-8-12-20(29-2)13-9-17/h4-9,12-13,19H,3,10-11,14-16H2,1-2H3,(H,24,28)(H,25,27)/p+1
InChIKeyDANJLLMUNWMTJL-UHFFFAOYSA-O
MW396.51 g/mol
LogP1.56
Rot. Bonds10

About cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium

cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 8770863) has the molecular formula C23H30N3O3+ and a molecular weight of 396.51 g/mol. Its IUPAC name is cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
PubChem CID8770863
Molecular FormulaC23H30N3O3+
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Namecyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+](Cc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C23H29N3O3/c1-3-18-6-4-5-7-21(18)25-22(27)14-24-23(28)16-26(19-10-11-19)15-17-8-12-20(29-2)13-9-17/h4-9,12-13,19H,3,10-11,14-16H2,1-2H3,(H,24,28)(H,25,27)/p+1
InChIKeyDANJLLMUNWMTJL-UHFFFAOYSA-O
XLogP1.56
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8770486
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylcarbamoylamino]acetamide
CID 60595680
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8924585

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium (CID 8770863) is cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium is CCc1ccccc1NC(=O)CNC(=O)C[NH+](Cc1ccc(OC)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is DANJLLMUNWMTJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O3/c1-3-18-6-4-5-7-21(18)25-22(27)14-24-23(28)16-26(19-10-11-19)15-17-8-12-20(29-2)13-9-17/h4-9,12-13,19H,3,10-11,14-16H2,1-2H3,(H,24,28)(H,25,27)/p+1.
What are the key properties of cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 396.51 g/mol, XLogP of 1.56, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8770863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).