methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium

C19H25N2O+ — CID 9302756

IUPACmethyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
SMILESCCCNC(=O)C[NH+](C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-13-20-19(22)15-21(2)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)/p+1
InChIKeyWNHMOSXMVGBISJ-UHFFFAOYSA-O
MW297.42 g/mol
LogP1.89
Rot. Bonds7

About methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium

methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium (PubChem CID 9302756) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
PubChem CID9302756
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Namemethyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
SMILESCCCNC(=O)C[NH+](C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-13-20-19(22)15-21(2)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)/p+1
InChIKeyWNHMOSXMVGBISJ-UHFFFAOYSA-O
XLogP1.89
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8791084
(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8542263
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]azanium
CID 8793440
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
2-[[2-(4-phenylphenyl)acetyl]amino]-N-propylbenzamide
CID 31288816

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium (CID 9302756) is methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium is CCCNC(=O)C[NH+](C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium?
The InChIKey is WNHMOSXMVGBISJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O/c1-3-13-20-19(22)15-21(2)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)/p+1.
What are the key properties of methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium?
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium has a molecular weight of 297.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium is sourced from PubChem (CID 9302756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).