N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide

C17H26N4O — CID 110984746

IUPACN-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)N1CCc2ccccc21
InChIInChI=1S/C17H26N4O/c1-4-18-17(20-11-10-19-16(22)13(2)3)21-12-9-14-7-5-6-8-15(14)21/h5-8,13H,4,9-12H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyFDNYCAXBNFWJHW-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.79
Rot. Bonds5

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

N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide (PubChem CID 110984746) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
PubChem CID110984746
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)C)N1CCc2ccccc21
InChIInChI=1S/C17H26N4O/c1-4-18-17(20-11-10-19-16(22)13(2)3)21-12-9-14-7-5-6-8-15(14)21/h5-8,13H,4,9-12H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyFDNYCAXBNFWJHW-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

tert-butyl N-[3-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]propyl]carbamate
CID 110985252
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
tert-butyl N-[3-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 110985251
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-N'-(2-pyridin-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984033
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide (CID 110984746) is N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide is CCN/C(=N\CCNC(=O)C(C)C)N1CCc2ccccc21.
What is the InChIKey of N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
The InChIKey is FDNYCAXBNFWJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-18-17(20-11-10-19-16(22)13(2)3)21-12-9-14-7-5-6-8-15(14)21/h5-8,13H,4,9-12H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide?
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 110984746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).