[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

C21H28N3O3+ — CID 8805644

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1cc(C)ccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(3)14-17-13-15(2)11-12-18(17)27-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m1/s1
InChIKeyKDATWVJDVXHJDD-LJQANCHMSA-O
MW370.47 g/mol
LogP1.61
Rot. Bonds7

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (PubChem CID 8805644) has the molecular formula C21H28N3O3+ and a molecular weight of 370.47 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
PubChem CID8805644
Molecular FormulaC21H28N3O3+
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1cc(C)ccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(3)14-17-13-15(2)11-12-18(17)27-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m1/s1
InChIKeyKDATWVJDVXHJDD-LJQANCHMSA-O
XLogP1.61
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8844790
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805602
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium
CID 8805322
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8514292
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815250
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8552805
(2R)-N-(ethylcarbamoyl)-2-(3-methylphenoxy)-2-phenylacetamide
CID 7817517
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846329
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805658
N-(ethylcarbamoyl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43083660

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (CID 8805644) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1cc(C)ccc1OC.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The InChIKey is KDATWVJDVXHJDD-LJQANCHMSA-O. The full InChI is InChI=1S/C21H27N3O3/c1-5-22-21(26)23-20(25)19(16-9-7-6-8-10-16)24(3)14-17-13-15(2)11-12-18(17)27-4/h6-13,19H,5,14H2,1-4H3,(H2,22,23,25,26)/p+1/t19-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium has a molecular weight of 370.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8805644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).