2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide

C19H24N4O2 — CID 111340087

IUPAC2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide
SMILESC/N=C(/NCCc1ccccc1OC)NCC(=O)Nc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-20-19(21-13-12-15-8-6-7-11-17(15)25-2)22-14-18(24)23-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyDYRFHKDEXAKUSM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds7

About 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide

2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide (PubChem CID 111340087) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide
PubChem CID111340087
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide
SMILESC/N=C(/NCCc1ccccc1OC)NCC(=O)Nc1ccccc1
InChIInChI=1S/C19H24N4O2/c1-20-19(21-13-12-15-8-6-7-11-17(15)25-2)22-14-18(24)23-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyDYRFHKDEXAKUSM-UHFFFAOYSA-N
XLogP2.04
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111340113
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134970
N-[3-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111340707
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
N-[3-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111340706
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111340829
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340223
N-[3-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111339548
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978581
2-[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111377267
N-(4-fluorophenyl)-2-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111588875

Frequently Asked Questions

What is the IUPAC name of 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide (CID 111340087) is 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide is C/N=C(/NCCc1ccccc1OC)NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide?
The InChIKey is DYRFHKDEXAKUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-20-19(21-13-12-15-8-6-7-11-17(15)25-2)22-14-18(24)23-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide?
2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide has a molecular weight of 340.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide is sourced from PubChem (CID 111340087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).