(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium

C22H30N3O3+ — CID 8695083

IUPAC(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)NCC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-18-8-6-7-9-20(18)24-21(26)14-23-22(27)16-25(3)15-17-10-12-19(13-11-17)28-5-2/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26)/p+1
InChIKeyOZCUXGVDBVTSFK-UHFFFAOYSA-O
MW384.50 g/mol
LogP1.42
Rot. Bonds10

About (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium

(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8695083) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
PubChem CID8695083
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)NCC(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-18-8-6-7-9-20(18)24-21(26)14-23-22(27)16-25(3)15-17-10-12-19(13-11-17)28-5-2/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26)/p+1
InChIKeyOZCUXGVDBVTSFK-UHFFFAOYSA-O
XLogP1.42
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8924585
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8794472
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9304175
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799471
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium (CID 8695083) is (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium is CCOc1ccc(C[NH+](C)CC(=O)NCC(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is OZCUXGVDBVTSFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-4-18-8-6-7-9-20(18)24-21(26)14-23-22(27)16-25(3)15-17-10-12-19(13-11-17)28-5-2/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26)/p+1.
What are the key properties of (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium?
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 384.50 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8695083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).