[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium

C23H26N3O2+ — CID 8615093

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
SMILESCCNC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-3-24-23(28)20-9-6-10-21(14-20)25-22(27)16-26(2)15-17-11-12-18-7-4-5-8-19(18)13-17/h4-14H,3,15-16H2,1-2H3,(H,24,28)(H,25,27)/p+1
InChIKeyLJFKWLSKXKVOGR-UHFFFAOYSA-O
MW376.48 g/mol
LogP2.24
Rot. Bonds7

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium (PubChem CID 8615093) has the molecular formula C23H26N3O2+ and a molecular weight of 376.48 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
PubChem CID8615093
Molecular FormulaC23H26N3O2+
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
SMILESCCNC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-3-24-23(28)20-9-6-10-21(14-20)25-22(27)16-26(2)15-17-11-12-18-7-4-5-8-19(18)13-17/h4-14H,3,15-16H2,1-2H3,(H,24,28)(H,25,27)/p+1
InChIKeyLJFKWLSKXKVOGR-UHFFFAOYSA-O
XLogP2.24
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium
CID 8595235
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-acetamido-N-ethylbenzamide
CID 17230670
methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium
CID 9054362
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium (CID 8615093) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium is CCNC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium?
The InChIKey is LJFKWLSKXKVOGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O2/c1-3-24-23(28)20-9-6-10-21(14-20)25-22(27)16-26(2)15-17-11-12-18-7-4-5-8-19(18)13-17/h4-14H,3,15-16H2,1-2H3,(H,24,28)(H,25,27)/p+1.
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium has a molecular weight of 376.48 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium is sourced from PubChem (CID 8615093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).