[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium

C20H26N3O4+ — CID 2699246

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NC(=O)NCc2ccccc2)c1OC
InChIInChI=1S/C20H25N3O4/c1-23(13-16-10-7-11-17(26-2)19(16)27-3)14-18(24)22-20(25)21-12-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H2,21,22,24,25)/p+1
InChIKeyALONRGSZRISMDD-UHFFFAOYSA-O
MW372.45 g/mol
LogP0.74
Rot. Bonds8

About [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium

[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 2699246) has the molecular formula C20H26N3O4+ and a molecular weight of 372.45 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
PubChem CID2699246
Molecular FormulaC20H26N3O4+
Molecular Weight372.45 g/mol
Exact Mass372.19
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)CC(=O)NC(=O)NCc2ccccc2)c1OC
InChIInChI=1S/C20H25N3O4/c1-23(13-16-10-7-11-17(26-2)19(16)27-3)14-18(24)22-20(25)21-12-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H2,21,22,24,25)/p+1
InChIKeyALONRGSZRISMDD-UHFFFAOYSA-O
XLogP0.74
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
CID 2699320
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2699286
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 9309288
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8909166
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196740
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
(2-methoxyphenyl)methyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2548867
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium
CID 9460687

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium (CID 2699246) is [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)CC(=O)NC(=O)NCc2ccccc2)c1OC.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is ALONRGSZRISMDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O4/c1-23(13-16-10-7-11-17(26-2)19(16)27-3)14-18(24)22-20(25)21-12-15-8-5-4-6-9-15/h4-11H,12-14H2,1-3H3,(H2,21,22,24,25)/p+1.
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 372.45 g/mol, XLogP of 0.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 2699246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).