N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C22H20N2O4 — CID 7178897

IUPACN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O4/c25-22(16-7-8-20-21(12-16)28-14-27-20)23-13-18(19-6-3-11-26-19)24-10-9-15-4-1-2-5-17(15)24/h1-8,11-12,18H,9-10,13-14H2,(H,23,25)/t18-/m1/s1
InChIKeyKZIPMYJNLDTQOY-GOSISDBHSA-N
MW376.41 g/mol
LogP3.54
Rot. Bonds5

About N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7178897) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7178897
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O4/c25-22(16-7-8-20-21(12-16)28-14-27-20)23-13-18(19-6-3-11-26-19)24-10-9-15-4-1-2-5-17(15)24/h1-8,11-12,18H,9-10,13-14H2,(H,23,25)/t18-/m1/s1
InChIKeyKZIPMYJNLDTQOY-GOSISDBHSA-N
XLogP3.54
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 7178892
N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 22517432
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7217379
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 7525308
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
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
2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7178883
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121019350
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 7178897) is N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is KZIPMYJNLDTQOY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-22(16-7-8-20-21(12-16)28-14-27-20)23-13-18(19-6-3-11-26-19)24-10-9-15-4-1-2-5-17(15)24/h1-8,11-12,18H,9-10,13-14H2,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7178897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).