2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

C17H28N3O4+ — CID 8583864

IUPAC2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCOc1ccc(CC[NH+](C)CC(=O)NC(=O)NC(C)C)cc1OC
InChIInChI=1S/C17H27N3O4/c1-12(2)18-17(22)19-16(21)11-20(3)9-8-13-6-7-14(23-4)15(10-13)24-5/h6-7,10,12H,8-9,11H2,1-5H3,(H2,18,19,21,22)/p+1
InChIKeyDWQYFKLRYMUIPO-UHFFFAOYSA-O
MW338.43 g/mol
LogP-0.00
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (PubChem CID 8583864) has the molecular formula C17H28N3O4+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
PubChem CID8583864
Molecular FormulaC17H28N3O4+
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCOc1ccc(CC[NH+](C)CC(=O)NC(=O)NC(C)C)cc1OC
InChIInChI=1S/C17H27N3O4/c1-12(2)18-17(22)19-16(21)11-20(3)9-8-13-6-7-14(23-4)15(10-13)24-5/h6-7,10,12H,8-9,11H2,1-5H3,(H2,18,19,21,22)/p+1
InChIKeyDWQYFKLRYMUIPO-UHFFFAOYSA-O
XLogP-0.00
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583890
2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8583994
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]azanium
CID 8681951
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8584090
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 9058327
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432499
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-(3,4-dimethoxyphenyl)ethyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8682128
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9023444

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (CID 8583864) is 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is COc1ccc(CC[NH+](C)CC(=O)NC(=O)NC(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The InChIKey is DWQYFKLRYMUIPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O4/c1-12(2)18-17(22)19-16(21)11-20(3)9-8-13-6-7-14(23-4)15(10-13)24-5/h6-7,10,12H,8-9,11H2,1-5H3,(H2,18,19,21,22)/p+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium has a molecular weight of 338.43 g/mol, XLogP of -0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8583864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).