[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

C23H32N3O4+ — CID 9101079

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H31N3O4/c1-6-26(7-2)23(28)17-8-11-19(12-9-17)24-22(27)16-25(3)15-18-10-13-20(29-4)14-21(18)30-5/h8-14H,6-7,15-16H2,1-5H3,(H,24,27)/p+1
InChIKeyCXDKOFFRCQMYSI-UHFFFAOYSA-O
MW414.53 g/mol
LogP1.84
Rot. Bonds10

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 9101079) has the molecular formula C23H32N3O4+ and a molecular weight of 414.53 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
PubChem CID9101079
Molecular FormulaC23H32N3O4+
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H31N3O4/c1-6-26(7-2)23(28)17-8-11-19(12-9-17)24-22(27)16-25(3)15-18-10-13-20(29-4)14-21(18)30-5/h8-14H,6-7,15-16H2,1-5H3,(H,24,27)/p+1
InChIKeyCXDKOFFRCQMYSI-UHFFFAOYSA-O
XLogP1.84
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8780652
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698955
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8845878
(2,4-dimethoxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8845921
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8692370
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198941
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9101509
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349399

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium (CID 9101079) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium is CCN(CC)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2ccc(OC)cc2OC)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is CXDKOFFRCQMYSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31N3O4/c1-6-26(7-2)23(28)17-8-11-19(12-9-17)24-22(27)16-25(3)15-18-10-13-20(29-4)14-21(18)30-5/h8-14H,6-7,15-16H2,1-5H3,(H,24,27)/p+1.
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 414.53 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9101079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).