N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide

C17H28N4O2 — CID 111897161

IUPACN-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CCOCC)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C17H28N4O2/c1-3-18-17(20-12-13-23-4-2)19-11-10-16(22)21-14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyGGMNYPZXTKTUKK-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.28
Rot. Bonds10

About N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide

N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide (PubChem CID 111897161) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide
PubChem CID111897161
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CCOCC)NCCC(=O)NCc1ccccc1
InChIInChI=1S/C17H28N4O2/c1-3-18-17(20-12-13-23-4-2)19-11-10-16(22)21-14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyGGMNYPZXTKTUKK-UHFFFAOYSA-N
XLogP1.28
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-benzyl-3-[bis(ethylamino)methylideneamino]propanamide
CID 110916950
N-benzyl-3-[[N-ethyl-N'-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111345368
N-benzyl-3-[[N-ethyl-N'-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111627825
N-benzyl-3-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 111169397
N-benzyl-3-[[N-ethyl-N'-(2-methoxy-3,3-dimethylbutyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111710994
N-benzyl-3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111224268
2-benzyl-1-(2-ethoxyethyl)-3-ethylguanidine
CID 110954950
N-benzyl-3-[[N-ethyl-N'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamimidoyl]amino]propanamide
CID 111872705
N-benzyl-3-[[N-ethyl-N'-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 109493408
3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide
CID 111224067
N-benzyl-3-[[N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]carbamimidoyl]amino]propanamide
CID 111715438
N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111225373

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide?
The IUPAC name of N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide (CID 111897161) is N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide is CCN/C(=N\CCOCC)NCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide?
The InChIKey is GGMNYPZXTKTUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-18-17(20-12-13-23-4-2)19-11-10-16(22)21-14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide?
N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.28, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide is sourced from PubChem (CID 111897161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).