N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide

C16H26N4O2 — CID 111075603

IUPACN-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
SMILESCCCCCC/N=C(\N)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C16H26N4O2/c1-2-3-4-7-10-19-16(17)20-12-11-18-15(22)13-8-5-6-9-14(13)21/h5-6,8-9,21H,2-4,7,10-12H2,1H3,(H,18,22)(H3,17,19,20)
InChIKeyGFNVWFYTJOWYJJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.61
Rot. Bonds9

About N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide

N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide (PubChem CID 111075603) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
PubChem CID111075603
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
SMILESCCCCCC/N=C(\N)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C16H26N4O2/c1-2-3-4-7-10-19-16(17)20-12-11-18-15(22)13-8-5-6-9-14(13)21/h5-6,8-9,21H,2-4,7,10-12H2,1H3,(H,18,22)(H3,17,19,20)
InChIKeyGFNVWFYTJOWYJJ-UHFFFAOYSA-N
XLogP1.61
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.61
H-Bond Donors ≤ 54
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

2-fluoro-N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]benzamide
CID 111075665
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111150952
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
1-[2-(benzenesulfonyl)ethyl]-2-hexylguanidine
CID 111065100
4-bromo-N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]benzamide
CID 111075523
dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-methylsulfanium bromide
CID 71441333
1-[2-(2,6-difluorophenyl)ethyl]-2-hexylguanidine
CID 111060701
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
CID 88819148
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide (CID 111075603) is N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide is CCCCCC/N=C(\N)NCCNC(=O)c1ccccc1O.
What is the InChIKey of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
The InChIKey is GFNVWFYTJOWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-3-4-7-10-19-16(17)20-12-11-18-15(22)13-8-5-6-9-14(13)21/h5-6,8-9,21H,2-4,7,10-12H2,1H3,(H,18,22)(H3,17,19,20).
What are the key properties of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 111075603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).