[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium

C17H20N3O2+ — CID 8771949

IUPAC[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-18-16(21)11-19-12-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,18,21)(H,20,22)/p+1
InChIKeyZQQKUSSXUCSDES-UHFFFAOYSA-O
MW298.37 g/mol
LogP0.60
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium

[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium (PubChem CID 8771949) has the molecular formula C17H20N3O2+ and a molecular weight of 298.37 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
PubChem CID8771949
Molecular FormulaC17H20N3O2+
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-18-16(21)11-19-12-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,18,21)(H,20,22)/p+1
InChIKeyZQQKUSSXUCSDES-UHFFFAOYSA-O
XLogP0.60
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771641
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-(4-phenylphenyl)acetamide
CID 19998
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
CID 143478445
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium (CID 8771949) is [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium is CNC(=O)C[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
The InChIKey is ZQQKUSSXUCSDES-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N3O2/c1-18-16(21)11-19-12-17(22)20-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,18,21)(H,20,22)/p+1.
What are the key properties of [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium?
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium has a molecular weight of 298.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium is sourced from PubChem (CID 8771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).