[4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

C19H24N3O3+ — CID 8533453

IUPAC[4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H23N3O3/c1-22(2)12-15-9-7-14(8-10-15)11-21-18(23)13-25-17-6-4-3-5-16(17)19(20)24/h3-10H,11-13H2,1-2H3,(H2,20,24)(H,21,23)/p+1
InChIKeyGONQLIUHHMUWAD-UHFFFAOYSA-O
MW342.42 g/mol
LogP0.13
Rot. Bonds8

About [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

[4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 8533453) has the molecular formula C19H24N3O3+ and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
PubChem CID8533453
Molecular FormulaC19H24N3O3+
Molecular Weight342.42 g/mol
Exact Mass342.18
IUPAC Name[4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C19H23N3O3/c1-22(2)12-15-9-7-14(8-10-15)11-21-18(23)13-25-17-6-4-3-5-16(17)19(20)24/h3-10H,11-13H2,1-2H3,(H2,20,24)(H,21,23)/p+1
InChIKeyGONQLIUHHMUWAD-UHFFFAOYSA-O
XLogP0.13
TPSA85.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium with MolForge

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Related Compounds

2-[2-oxo-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethoxy]benzamide
CID 8533134
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethoxy]benzamide
CID 9092419
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
4-methoxy-2-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]benzamide
CID 18085837
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 9081252
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium (CID 8533453) is [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2C(N)=O)cc1.
What is the InChIKey of [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is GONQLIUHHMUWAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O3/c1-22(2)12-15-9-7-14(8-10-15)11-21-18(23)13-25-17-6-4-3-5-16(17)19(20)24/h3-10H,11-13H2,1-2H3,(H2,20,24)(H,21,23)/p+1.
What are the key properties of [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
[4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 342.42 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(2-carbamoylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 8533453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).