[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium

C20H21N2O+ — CID 23548784

IUPAC[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium
SMILESCNC(=O)C([NH2+]Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-21-20(23)19(17-8-3-2-4-9-17)22-14-15-11-12-16-7-5-6-10-18(16)13-15/h2-13,19,22H,14H2,1H3,(H,21,23)/p+1
InChIKeyHWOSKEQGHVCOOS-UHFFFAOYSA-O
MW305.40 g/mol
LogP2.39
Rot. Bonds5

About [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium

[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium (PubChem CID 23548784) has the molecular formula C20H21N2O+ and a molecular weight of 305.40 g/mol. Its IUPAC name is [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium
PubChem CID23548784
Molecular FormulaC20H21N2O+
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium
SMILESCNC(=O)C([NH2+]Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-21-20(23)19(17-8-3-2-4-9-17)22-14-15-11-12-16-7-5-6-10-18(16)13-15/h2-13,19,22H,14H2,1H3,(H,21,23)/p+1
InChIKeyHWOSKEQGHVCOOS-UHFFFAOYSA-O
XLogP2.39
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 2407048
N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7928623
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9261608
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
(2-amino-1-cyclohepta-1,3,6-trien-1-yl-2-oxoethyl)-(naphthalen-2-ylmethyl)azanium;methanethiol
CID 142108246
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide
CID 97000970

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium?
The IUPAC name of [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium (CID 23548784) is [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium?
The canonical SMILES for [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium is CNC(=O)C([NH2+]Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium?
The InChIKey is HWOSKEQGHVCOOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N2O/c1-21-20(23)19(17-8-3-2-4-9-17)22-14-15-11-12-16-7-5-6-10-18(16)13-15/h2-13,19,22H,14H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium?
[2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium has a molecular weight of 305.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxo-1-phenylethyl]-(naphthalen-2-ylmethyl)azanium is sourced from PubChem (CID 23548784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).