[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C22H30N3O3+ — CID 8754906

IUPAC[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)CCOc2ccccc2)c1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)22(27)18-10-9-11-19(16-18)23-21(26)17-24(3)14-15-28-20-12-7-6-8-13-20/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,23,26)/p+1
InChIKeyJTSLHAHATCVBTR-UHFFFAOYSA-O
MW384.50 g/mol
LogP1.70
Rot. Bonds10

About [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8754906) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8754906
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)CCOc2ccccc2)c1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)22(27)18-10-9-11-19(16-18)23-21(26)17-24(3)14-15-28-20-12-7-6-8-13-20/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,23,26)/p+1
InChIKeyJTSLHAHATCVBTR-UHFFFAOYSA-O
XLogP1.70
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620955
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804522
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8754906) is [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is CCN(CC)C(=O)c1cccc(NC(=O)C[NH+](C)CCOc2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is JTSLHAHATCVBTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-4-25(5-2)22(27)18-10-9-11-19(16-18)23-21(26)17-24(3)14-15-28-20-12-7-6-8-13-20/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,23,26)/p+1.
What are the key properties of [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 384.50 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8754906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).