[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

C19H31N4O3+ — CID 9433372

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C19H30N4O3/c1-5-20-17(24)13-22(6-2)14-18(25)21-16-11-9-15(10-12-16)19(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,24)(H,21,25)/p+1
InChIKeyBXRNLGFEDIVDOP-UHFFFAOYSA-O
MW363.48 g/mol
LogP0.15
Rot. Bonds10

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (PubChem CID 9433372) has the molecular formula C19H31N4O3+ and a molecular weight of 363.48 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
PubChem CID9433372
Molecular FormulaC19H31N4O3+
Molecular Weight363.48 g/mol
Exact Mass363.24
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C19H30N4O3/c1-5-20-17(24)13-22(6-2)14-18(25)21-16-11-9-15(10-12-16)19(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,24)(H,21,25)/p+1
InChIKeyBXRNLGFEDIVDOP-UHFFFAOYSA-O
XLogP0.15
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349399
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198941
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250391
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (CID 9433372) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The InChIKey is BXRNLGFEDIVDOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O3/c1-5-20-17(24)13-22(6-2)14-18(25)21-16-11-9-15(10-12-16)19(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,20,24)(H,21,25)/p+1.
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium has a molecular weight of 363.48 g/mol, XLogP of 0.15, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9433372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).