N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide

C19H24N2O2 — CID 18577477

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C19H24N2O2/c1-14(2)12-19(22)20-13-17(18-8-5-11-23-18)21-10-9-15-6-3-4-7-16(15)21/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyFOORDFFKVJSPOF-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide (PubChem CID 18577477) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
PubChem CID18577477
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C19H24N2O2/c1-14(2)12-19(22)20-13-17(18-8-5-11-23-18)21-10-9-15-6-3-4-7-16(15)21/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyFOORDFFKVJSPOF-UHFFFAOYSA-N
XLogP3.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 7525323
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525395
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
2-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525289
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525288
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-hydroxypropyl)oxamide
CID 7525356
N'-cyclopropyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525396
2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7178883
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 18577549

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide (CID 18577477) is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide is CC(C)CC(=O)NCC(c1ccco1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
The InChIKey is FOORDFFKVJSPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)12-19(22)20-13-17(18-8-5-11-23-18)21-10-9-15-6-3-4-7-16(15)21/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 18577477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).