(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium

C22H29N2O3+ — CID 8799055

IUPAC(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O3/c1-4-27-20-12-10-19(11-13-20)15-24(3)16-22(26)23-21(17(2)25)14-18-8-6-5-7-9-18/h5-13,21H,4,14-16H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1
InChIKeyLZBHCFBOBKZUIM-OAQYLSRUSA-O
MW369.49 g/mol
LogP1.42
Rot. Bonds10

About (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium

(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium (PubChem CID 8799055) has the molecular formula C22H29N2O3+ and a molecular weight of 369.49 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
PubChem CID8799055
Molecular FormulaC22H29N2O3+
Molecular Weight369.49 g/mol
Exact Mass369.22
IUPAC Name(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SMILESCCOc1ccc(C[NH+](C)CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O3/c1-4-27-20-12-10-19(11-13-20)15-24(3)16-22(26)23-21(17(2)25)14-18-8-6-5-7-9-18/h5-13,21H,4,14-16H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1
InChIKeyLZBHCFBOBKZUIM-OAQYLSRUSA-O
XLogP1.42
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium with MolForge

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Related Compounds

[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9023713
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
2-[4-(3-chloropropoxy)phenyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 14171592
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
[2-(2-bromoanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799513
methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338626
(4-ethoxyphenyl)methyl-[2-(4-ethylanilino)-2-oxoethyl]-methylazanium
CID 8799368
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8799316

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The IUPAC name of (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium (CID 8799055) is (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium.
What is the SMILES notation for (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The canonical SMILES for (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium is CCOc1ccc(C[NH+](C)CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The InChIKey is LZBHCFBOBKZUIM-OAQYLSRUSA-O. The full InChI is InChI=1S/C22H28N2O3/c1-4-27-20-12-10-19(11-13-20)15-24(3)16-22(26)23-21(17(2)25)14-18-8-6-5-7-9-18/h5-13,21H,4,14-16H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1.
What are the key properties of (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium has a molecular weight of 369.49 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium is sourced from PubChem (CID 8799055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).