N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide

C16H24Cl2N4O — CID 111720291

IUPACN-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CCCc1ccc(Cl)cc1Cl)NCCNC(C)=O
InChIInChI=1S/C16H24Cl2N4O/c1-3-19-16(22-10-9-20-12(2)23)21-8-4-5-13-6-7-14(17)11-15(13)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyDVTJFRWQJHQCHJ-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.62
Rot. Bonds8

About N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide

N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide (PubChem CID 111720291) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
PubChem CID111720291
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC NameN-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CCCc1ccc(Cl)cc1Cl)NCCNC(C)=O
InChIInChI=1S/C16H24Cl2N4O/c1-3-19-16(22-10-9-20-12(2)23)21-8-4-5-13-6-7-14(17)11-15(13)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeyDVTJFRWQJHQCHJ-UHFFFAOYSA-N
XLogP2.62
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111720294
2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-[3-(methanesulfonamido)propyl]guanidine
CID 111720229
2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111720395
2-[3-(2,4-dichlorophenyl)propyl]-1-ethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111720297
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
N-[2-[[ethylamino-[2-(2,4,6-trichlorophenoxy)ethylamino]methylidene]amino]ethyl]acetamide
CID 109464268
N-[2-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111197929
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-[(2,4-dichlorophenyl)methyl]-3-ethylguanidine
CID 111198108
N-[2-[[N'-[(2,5-difluorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
CID 111901969
N-[2-[[N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111380988
2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111544479
1-[3-(2,4-dichlorophenyl)propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 111720456

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide (CID 111720291) is N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide is CCN/C(=N\CCCc1ccc(Cl)cc1Cl)NCCNC(C)=O.
What is the InChIKey of N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide?
The InChIKey is DVTJFRWQJHQCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N4O/c1-3-19-16(22-10-9-20-12(2)23)21-8-4-5-13-6-7-14(17)11-15(13)18/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide?
N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide has a molecular weight of 359.30 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-[3-(2,4-dichlorophenyl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 111720291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).