N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide

C18H26N4O — CID 110984132

IUPACN-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C18H26N4O/c1-19-18(22-12-11-14-7-5-6-10-16(14)22)20-13-17(23)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20)(H,21,23)
InChIKeyGVAUZIJQPIMQJM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.07
Rot. Bonds3

About N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide

N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide (PubChem CID 110984132) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
PubChem CID110984132
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)N1CCc2ccccc21
InChIInChI=1S/C18H26N4O/c1-19-18(22-12-11-14-7-5-6-10-16(14)22)20-13-17(23)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20)(H,21,23)
InChIKeyGVAUZIJQPIMQJM-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
N-cyclohexyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131285
2-[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclohexylacetamide;hydroiodide
CID 110959918
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441773
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398
4-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-ethylbenzamide
CID 110983330
ethyl 1-[N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110994481

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide (CID 110984132) is N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide is C/N=C(\NCC(=O)NC1CCCCC1)N1CCc2ccccc21.
What is the InChIKey of N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide?
The InChIKey is GVAUZIJQPIMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-19-18(22-12-11-14-7-5-6-10-16(14)22)20-13-17(23)21-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide?
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide is sourced from PubChem (CID 110984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).