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

C18H22N2O2 — CID 7178879

IUPACN-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C18H22N2O2/c1-13(2)18(21)19-12-16(17-8-5-11-22-17)20-10-9-14-6-3-4-7-15(14)20/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyCWWKXLHANDQMPW-INIZCTEOSA-N
MW298.39 g/mol
LogP3.16
Rot. Bonds5

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

N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide (PubChem CID 7178879) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
PubChem CID7178879
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C18H22N2O2/c1-13(2)18(21)19-12-16(17-8-5-11-22-17)20-10-9-14-6-3-4-7-15(14)20/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyCWWKXLHANDQMPW-INIZCTEOSA-N
XLogP3.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477
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
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 7525323
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-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide (CID 7178879) is N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21.
What is the InChIKey of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is CWWKXLHANDQMPW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)18(21)19-12-16(17-8-5-11-22-17)20-10-9-14-6-3-4-7-15(14)20/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 7178879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).