[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium

C22H30N3O3+ — CID 8559336

IUPAC[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium
SMILESCC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O3/c1-4-17(18-8-6-5-7-9-18)14-23-21(26)15-25(2)16-22(27)24-19-10-12-20(28-3)13-11-19/h5-13,17H,4,14-16H2,1-3H3,(H,23,26)(H,24,27)/p+1/t17-/m1/s1
InChIKeyOMQKJOZXONFNGV-QGZVFWFLSA-O
MW384.50 g/mol
LogP1.46
Rot. Bonds10

About [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium

[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium (PubChem CID 8559336) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium
PubChem CID8559336
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium
SMILESCC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O3/c1-4-17(18-8-6-5-7-9-18)14-23-21(26)15-25(2)16-22(27)24-19-10-12-20(28-3)13-11-19/h5-13,17H,4,14-16H2,1-3H3,(H,23,26)(H,24,27)/p+1/t17-/m1/s1
InChIKeyOMQKJOZXONFNGV-QGZVFWFLSA-O
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl]azanium
CID 8558970
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8817948
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8816741
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8817954
[2-(2-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9223006
[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2113876
[2-(4-butylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658341

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium (CID 8559336) is [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium is CC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium?
The InChIKey is OMQKJOZXONFNGV-QGZVFWFLSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-4-17(18-8-6-5-7-9-18)14-23-21(26)15-25(2)16-22(27)24-19-10-12-20(28-3)13-11-19/h5-13,17H,4,14-16H2,1-3H3,(H,23,26)(H,24,27)/p+1/t17-/m1/s1.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium?
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium has a molecular weight of 384.50 g/mol, XLogP of 1.46, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]azanium is sourced from PubChem (CID 8559336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).