N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide

C20H20N2O3 — CID 51219431

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCC1COc2ccccc2O1
InChIInChI=1S/C20H20N2O3/c23-20(10-12-22-11-9-15-5-1-2-6-17(15)22)21-13-16-14-24-18-7-3-4-8-19(18)25-16/h1-9,11,16H,10,12-14H2,(H,21,23)
InChIKeyUUWYCTCNZPVUMR-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.99
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide (PubChem CID 51219431) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide
PubChem CID51219431
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCC1COc2ccccc2O1
InChIInChI=1S/C20H20N2O3/c23-20(10-12-22-11-9-15-5-1-2-6-17(15)22)21-13-16-14-24-18-7-3-4-8-19(18)25-16/h1-9,11,16H,10,12-14H2,(H,21,23)
InChIKeyUUWYCTCNZPVUMR-UHFFFAOYSA-N
XLogP2.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 7023936
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 39724116
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17432260
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylsulfanylpropanamide
CID 2453420
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-2-indol-1-ylacetamide
CID 90622490
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-nitroacetamide
CID 108814523
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123644
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61248970
5-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpentanamide
CID 82012034

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide (CID 51219431) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide?
The InChIKey is UUWYCTCNZPVUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-20(10-12-22-11-9-15-5-1-2-6-17(15)22)21-13-16-14-24-18-7-3-4-8-19(18)25-16/h1-9,11,16H,10,12-14H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide has a molecular weight of 336.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 51219431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).