2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide

C18H28N4O — CID 110953344

IUPAC2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide
SMILESCCN/C(=N\Cc1ccccc1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H28N4O/c1-2-19-18(20-13-15-9-5-3-6-10-15)21-14-17(23)22-16-11-7-4-8-12-16/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyNONIOINOKXVYSX-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.19
Rot. Bonds6

About 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide

2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide (PubChem CID 110953344) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide
PubChem CID110953344
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide
SMILESCCN/C(=N\Cc1ccccc1)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H28N4O/c1-2-19-18(20-13-15-9-5-3-6-10-15)21-14-17(23)22-16-11-7-4-8-12-16/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyNONIOINOKXVYSX-UHFFFAOYSA-N
XLogP2.19
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-cyclohexylacetamide
CID 111131304
2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-cyclohexylacetamide;hydroiodide
CID 111174553
N-cyclohexyl-2-[[N-ethyl-N'-[(3-fluoro-4-methylphenyl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111846978
N-cyclohexyl-2-[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111377344
N-cyclohexyl-2-[[N'-[(2,5-difluorophenyl)methyl]-N-ethylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111902270
N-cyclohexyl-3-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111233542
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190104
4-[[[[[3-(cyclohexylamino)-3-oxopropyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874748
N-cyclopropyl-2-[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111378001
2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 110986260
N-cyclohexyl-3-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]propanamide
CID 111267039

Frequently Asked Questions

What is the IUPAC name of 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide (CID 110953344) is 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide is CCN/C(=N\Cc1ccccc1)NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide?
The InChIKey is NONIOINOKXVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-19-18(20-13-15-9-5-3-6-10-15)21-14-17(23)22-16-11-7-4-8-12-16/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,22,23)(H2,19,20,21).
What are the key properties of 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide?
2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide has a molecular weight of 316.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 110953344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).