[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium

C21H26N3O4+ — CID 9026504

IUPAC[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H25N3O4/c1-4-24(13-20(26)22-16-8-7-9-17(12-16)28-3)14-21(27)23-19-11-6-5-10-18(19)15(2)25/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)/p+1
InChIKeyVUYNTEBEUYRDBB-UHFFFAOYSA-O
MW384.46 g/mol
LogP1.38
Rot. Bonds9

About [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium

[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9026504) has the molecular formula C21H26N3O4+ and a molecular weight of 384.46 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9026504
Molecular FormulaC21H26N3O4+
Molecular Weight384.46 g/mol
Exact Mass384.19
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccccc1C(C)=O
InChIInChI=1S/C21H25N3O4/c1-4-24(13-20(26)22-16-8-7-9-17(12-16)28-3)14-21(27)23-19-11-6-5-10-18(19)15(2)25/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)/p+1
InChIKeyVUYNTEBEUYRDBB-UHFFFAOYSA-O
XLogP1.38
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025808
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9025827
[2-(2-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9223006
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698
2-(2-acetylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7859310
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554816
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium (CID 9026504) is [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccccc1C(C)=O.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is VUYNTEBEUYRDBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O4/c1-4-24(13-20(26)22-16-8-7-9-17(12-16)28-3)14-21(27)23-19-11-6-5-10-18(19)15(2)25/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,27)/p+1.
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 384.46 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9026504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).