[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium

C23H31N4O4+ — CID 8692370

IUPAC[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N4O4/c1-5-27(6-2)22(29)16-26(3)15-21(28)24-18-9-7-17(8-10-18)23(30)25-19-11-13-20(31-4)14-12-19/h7-14H,5-6,15-16H2,1-4H3,(H,24,28)(H,25,30)/p+1
InChIKeyLWRRZAOOKOGNLK-UHFFFAOYSA-O
MW427.53 g/mol
LogP1.27
Rot. Bonds10

About [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium

[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium (PubChem CID 8692370) has the molecular formula C23H31N4O4+ and a molecular weight of 427.53 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
PubChem CID8692370
Molecular FormulaC23H31N4O4+
Molecular Weight427.53 g/mol
Exact Mass427.23
IUPAC Name[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N4O4/c1-5-27(6-2)22(29)16-26(3)15-21(28)24-18-9-7-17(8-10-18)23(30)25-19-11-13-20(31-4)14-12-19/h7-14H,5-6,15-16H2,1-4H3,(H,24,28)(H,25,30)/p+1
InChIKeyLWRRZAOOKOGNLK-UHFFFAOYSA-O
XLogP1.27
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8692076
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053171
(3-fluorophenyl)methyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8961817
[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 8692818
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101079

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium (CID 8692370) is [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium is CCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
The InChIKey is LWRRZAOOKOGNLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N4O4/c1-5-27(6-2)22(29)16-26(3)15-21(28)24-18-9-7-17(8-10-18)23(30)25-19-11-13-20(31-4)14-12-19/h7-14H,5-6,15-16H2,1-4H3,(H,24,28)(H,25,30)/p+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium?
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium has a molecular weight of 427.53 g/mol, XLogP of 1.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8692370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).