N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide

C16H26N4O5 — CID 111146228

IUPACN-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NCCOC)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N4O5/c1-17-16(19-10-14(21)18-6-7-22-2)20-11-8-12(23-3)15(25-5)13(9-11)24-4/h8-9H,6-7,10H2,1-5H3,(H,18,21)(H2,17,19,20)
InChIKeyCAXWFCUHUZRBLG-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.46
Rot. Bonds9

About N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide

N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide (PubChem CID 111146228) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide
PubChem CID111146228
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC NameN-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NCCOC)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N4O5/c1-17-16(19-10-14(21)18-6-7-22-2)20-11-8-12(23-3)15(25-5)13(9-11)24-4/h8-9H,6-7,10H2,1-5H3,(H,18,21)(H2,17,19,20)
InChIKeyCAXWFCUHUZRBLG-UHFFFAOYSA-N
XLogP0.46
TPSA102.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43045435
N-cyclopropyl-4-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]butanamide
CID 111146206
N-(2-methoxyethyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111683041
1-(2-cyclopropylethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111792516
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 109464279
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
2-[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111377267
N-(2-methoxyethyl)-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111249252
N-(2-methoxyethyl)-2-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]acetamide
CID 111939601
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111180580
tert-butyl N-[2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109391490

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide (CID 111146228) is N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide is C/N=C(\NCC(=O)NCCOC)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide?
The InChIKey is CAXWFCUHUZRBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-17-16(19-10-14(21)18-6-7-22-2)20-11-8-12(23-3)15(25-5)13(9-11)24-4/h8-9H,6-7,10H2,1-5H3,(H,18,21)(H2,17,19,20).
What are the key properties of N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide?
N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111146228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).