N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide

C16H26N4O2 — CID 111150952

IUPACN-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
SMILESCCCC/N=C(\NCC)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C16H26N4O2/c1-3-5-10-19-16(17-4-2)20-12-11-18-15(22)13-8-6-7-9-14(13)21/h6-9,21H,3-5,10-12H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKeyRNUGWEBABGCRIX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.48
Rot. Bonds8

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

N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide (PubChem CID 111150952) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
PubChem CID111150952
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
SMILESCCCC/N=C(\NCC)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C16H26N4O2/c1-3-5-10-19-16(17-4-2)20-12-11-18-15(22)13-8-6-7-9-14(13)21/h6-9,21H,3-5,10-12H2,1-2H3,(H,18,22)(H2,17,19,20)
InChIKeyRNUGWEBABGCRIX-UHFFFAOYSA-N
XLogP1.48
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.48
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

N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111179698
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111192093
N-[2-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide
CID 111351778
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111075603
N-[2-[[N-ethyl-N'-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide
CID 111987239
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 110997416
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 110946152
N-[2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111182793
2-chloro-N-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111882398
N-[2-[[N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-hydroxybenzamide
CID 111991367
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide
CID 111989529
N-[2-[[N-ethyl-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111980436

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide (CID 111150952) is N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide is CCCC/N=C(\NCC)NCCNC(=O)c1ccccc1O.
What is the InChIKey of N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
The InChIKey is RNUGWEBABGCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-5-10-19-16(17-4-2)20-12-11-18-15(22)13-8-6-7-9-14(13)21/h6-9,21H,3-5,10-12H2,1-2H3,(H,18,22)(H2,17,19,20).
What are the key properties of N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide?
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 111150952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).