N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide

C17H30N4O2 — CID 111127733

IUPACN-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESCCCCC(CC)CN/C(=N\C)NCCNC(=O)c1ccco1
InChIInChI=1S/C17H30N4O2/c1-4-6-8-14(5-2)13-21-17(18-3)20-11-10-19-16(22)15-9-7-12-23-15/h7,9,12,14H,4-6,8,10-11,13H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyZPIJQZISMBJHKP-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.39
Rot. Bonds10

About N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 111127733) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
PubChem CID111127733
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESCCCCC(CC)CN/C(=N\C)NCCNC(=O)c1ccco1
InChIInChI=1S/C17H30N4O2/c1-4-6-8-14(5-2)13-21-17(18-3)20-11-10-19-16(22)15-9-7-12-23-15/h7,9,12,14H,4-6,8,10-11,13H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyZPIJQZISMBJHKP-UHFFFAOYSA-N
XLogP2.39
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.39
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-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111225967
N-[2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111195026
N-[2-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111356954
N-[2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111212404
N-[2-[[N-(2,3-diphenylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109389519
N-[2-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111628008
N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111673686
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111673685
tert-butyl N-[3-[[N-[2-(furan-2-carbonylamino)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887057
N-[2-[[N'-methyl-N-[3-(4-propan-2-ylphenyl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111549210
N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111349578

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide (CID 111127733) is N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide is CCCCC(CC)CN/C(=N\C)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is ZPIJQZISMBJHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-6-8-14(5-2)13-21-17(18-3)20-11-10-19-16(22)15-9-7-12-23-15/h7,9,12,14H,4-6,8,10-11,13H2,1-3H3,(H,19,22)(H2,18,20,21).
What are the key properties of N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.39, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-(2-ethylhexyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).