methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C20H26N3O2+ — CID 9049397

IUPACmethyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)21-19(24)13-23(3)14-20(25)22-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyIGSYEGBEXKWOST-UHFFFAOYSA-O
MW340.45 g/mol
LogP1.33
Rot. Bonds7

About methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049397) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049397
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Namemethyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)21-19(24)13-23(3)14-20(25)22-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyIGSYEGBEXKWOST-UHFFFAOYSA-O
XLogP1.33
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]azanium
CID 8555821
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049037
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium
CID 9167007
cyclohexyl-methyl-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 2536830
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 9050173
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049865
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253555
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049397) is methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is IGSYEGBEXKWOST-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)21-19(24)13-23(3)14-20(25)22-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).