N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide

C18H26N4O — CID 110983412

IUPACN-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C18H26N4O/c1-19-18(22-13-11-14-6-2-5-9-16(14)22)20-12-10-17(23)21-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,19,20)(H,21,23)
InChIKeyJFBJVKSCZKKAJC-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.07
Rot. Bonds4

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

N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide (PubChem CID 110983412) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
PubChem CID110983412
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)NC1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C18H26N4O/c1-19-18(22-13-11-14-6-2-5-9-16(14)22)20-12-10-17(23)21-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,19,20)(H,21,23)
InChIKeyJFBJVKSCZKKAJC-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-cyclohexyl-3-[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]propanamide
CID 109425898
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
CID 110983752
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111829684
3-[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110946784
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide (CID 110983412) is N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide is C/N=C(\NCCC(=O)NC1CCCC1)N1CCc2ccccc21.
What is the InChIKey of N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
The InChIKey is JFBJVKSCZKKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-19-18(22-13-11-14-6-2-5-9-16(14)22)20-12-10-17(23)21-15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide?
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide has a molecular weight of 314.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide is sourced from PubChem (CID 110983412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).