N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide

C19H33IN4O2 — CID 109482636

IUPACN-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)c1ccco1)NC(C)CCC1CCCCC1.I
InChIInChI=1S/C19H32N4O2.HI/c1-15(10-11-16-7-4-3-5-8-16)23-19(20-2)22-13-12-21-18(24)17-9-6-14-25-17;/h6,9,14-16H,3-5,7-8,10-13H2,1-2H3,(H,21,24)(H2,20,22,23);1H
InChIKeyGPIHPRWPDDQHCV-UHFFFAOYSA-N
MW476.40 g/mol
LogP3.54
Rot. Bonds8

About N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 109482636) has the molecular formula C19H33IN4O2 and a molecular weight of 476.40 g/mol. Its IUPAC name is N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID109482636
Molecular FormulaC19H33IN4O2
Molecular Weight476.40 g/mol
Exact Mass476.16
IUPAC NameN-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)c1ccco1)NC(C)CCC1CCCCC1.I
InChIInChI=1S/C19H32N4O2.HI/c1-15(10-11-16-7-4-3-5-8-16)23-19(20-2)22-13-12-21-18(24)17-9-6-14-25-17;/h6,9,14-16H,3-5,7-8,10-13H2,1-2H3,(H,21,24)(H2,20,22,23);1H
InChIKeyGPIHPRWPDDQHCV-UHFFFAOYSA-N
XLogP3.54
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.54
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide with MolForge

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Related Compounds

N-[2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111212404
N-[2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111195026
N-[2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111235125
N-[2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111316939
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 109482517
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111225967
N-[2-[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111172740
N-[2-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111607009
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
N-[2-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111867575
N-[2-[[N'-methyl-N-[3-(4-propan-2-ylphenyl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111549210
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 109482521

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide (CID 109482636) is N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide is C/N=C(\NCCNC(=O)c1ccco1)NC(C)CCC1CCCCC1.I.
What is the InChIKey of N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is GPIHPRWPDDQHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.HI/c1-15(10-11-16-7-4-3-5-8-16)23-19(20-2)22-13-12-21-18(24)17-9-6-14-25-17;/h6,9,14-16H,3-5,7-8,10-13H2,1-2H3,(H,21,24)(H2,20,22,23);1H.
What are the key properties of N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 476.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 109482636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).