N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide

C16H22N4O — CID 110984904

IUPACN-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)N1CCc2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-17-16(18-11-15(21)19-13-7-8-13)20-10-9-12-5-3-4-6-14(12)20/h3-6,13H,2,7-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyVAPYDWJKDSIUMI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.29
Rot. Bonds4

About N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide

N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide (PubChem CID 110984904) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
PubChem CID110984904
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)N1CCc2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-17-16(18-11-15(21)19-13-7-8-13)20-10-9-12-5-3-4-6-14(12)20/h3-6,13H,2,7-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyVAPYDWJKDSIUMI-UHFFFAOYSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.29
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

2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119116488
3-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110983968
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983830
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550750
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019095
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
1-[4-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110983760
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111960341

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide (CID 110984904) is N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)N1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide?
The InChIKey is VAPYDWJKDSIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-17-16(18-11-15(21)19-13-7-8-13)20-10-9-12-5-3-4-6-14(12)20/h3-6,13H,2,7-11H2,1H3,(H,17,18)(H,19,21).
What are the key properties of N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide?
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110984904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).