di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium

C19H33N2O4+ — CID 8919196

IUPACdi(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
SMILESCOc1cc(CC(=O)NCC[NH+](C(C)C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C19H32N2O4/c1-13(2)21(14(3)4)9-8-20-18(22)12-15-10-16(23-5)19(25-7)17(11-15)24-6/h10-11,13-14H,8-9,12H2,1-7H3,(H,20,22)/p+1
InChIKeyFWGQZOWZJJXOSO-UHFFFAOYSA-O
MW353.48 g/mol
LogP1.07
Rot. Bonds10

About di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium

di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium (PubChem CID 8919196) has the molecular formula C19H33N2O4+ and a molecular weight of 353.48 g/mol. Its IUPAC name is di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedi(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
PubChem CID8919196
Molecular FormulaC19H33N2O4+
Molecular Weight353.48 g/mol
Exact Mass353.24
IUPAC Namedi(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
SMILESCOc1cc(CC(=O)NCC[NH+](C(C)C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C19H32N2O4/c1-13(2)21(14(3)4)9-8-20-18(22)12-15-10-16(23-5)19(25-7)17(11-15)24-6/h10-11,13-14H,8-9,12H2,1-7H3,(H,20,22)/p+1
InChIKeyFWGQZOWZJJXOSO-UHFFFAOYSA-O
XLogP1.07
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium with MolForge

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Related Compounds

N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56823979
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60589869
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid
CID 119368756

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium?
The IUPAC name of di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium (CID 8919196) is di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium.
What is the SMILES notation for di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium?
The canonical SMILES for di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium is COc1cc(CC(=O)NCC[NH+](C(C)C)C(C)C)cc(OC)c1OC.
What is the InChIKey of di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium?
The InChIKey is FWGQZOWZJJXOSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N2O4/c1-13(2)21(14(3)4)9-8-20-18(22)12-15-10-16(23-5)19(25-7)17(11-15)24-6/h10-11,13-14H,8-9,12H2,1-7H3,(H,20,22)/p+1.
What are the key properties of di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium?
di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium has a molecular weight of 353.48 g/mol, XLogP of 1.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium is sourced from PubChem (CID 8919196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).